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Chemical ID: 5996771

Chemical ID:

5996771

Name [?]:

1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]heptan-1-one

SMILES [?]:

CCCCCCC(=O)N1CCCC1c2nc(no2)c3ccc(cc3)Cl

InChi [?]:

InChI=1/C19H24ClN3O2/c1-2-3-4-5-8-17(24)23-13-6-7-16(23)19-21-18(22-25-19)14-9-11-15(20)12-10-14/h9-12,16H,2-8,13H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,3,4,5,11,12,6,20,24,21,23,10,19,22,13,7,16,14,25,15,17,9,8,18/E:(9,10)(11,12)/rA:25cCCCCCCCONCCCCCNCNOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s9s12;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₄ClN₃O₂
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	1

ZAP Information [?]

Total:	12.5323
Area:	608.542
Solvation:	-2.68125
Coulombic:	-30.4207

Bond Count [?]

All:	27
Single:	21
Double:	6
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	361.866
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	5.46
LogP (Chemaxon):	4.49

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value