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Chemical ID: 4868274

Chemical ID:

4868274

Name [?]:

1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-methyl-propan-1-amine

SMILES [?]:

CC(C)C(c1nnc(o1)SCc2ccc(cc2)F)N

InChi [?]:

InChI=1/C13H16FN3OS/c1-8(2)11(15)12-16-17-13(18-12)19-7-9-3-5-10(14)6-4-9/h3-6,8,11H,7,15H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,3,13,17,14,16,11,2,12,15,4,5,8,18,19,6,7,9,10/E:(1,2)(3,4)(5,6)/rA:19cCCCCCNNCOSCCCCCCCFN/rB:s1;s2;s2;s4;d5;s6;d7;s5s8;s8;s10;s11;s12;d13;s14;d15;d12s16;s15;s4;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₆FN₃OS
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	1

ZAP Information [?]

Total:	9.6647
Area:	476.264
Solvation:	-2.24191
Coulombic:	-32.9773

Bond Count [?]

All:	20
Single:	15
Double:	5
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	281.35
H-Bond Donors:	2
H-Bond Acceptors:	1
XLogP:	3.61
LogP (Chemaxon):	2.77

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