Chemical ID: 4929822

CC(=Cc1ccccc1)CCC2=NC(CO2)C(=O)OC
Chemical ID:
4929822
Name [?]:
methyl 2-(3-methyl-4-phenyl-but-3-enyl)-4,5-dihydrooxazole-4-carboxylate
SMILES [?]:
CC(=Cc1ccccc1)CCC2=NC(CO2)C(=O)OC
InChi [?]:
InChI=1/C16H19NO3/c1-12(10-13-6-4-3-5-7-13)8-9-15-17-14(11-20-15)16(18)19-2/h3-7,10,14H,8-9,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,7,6,8,5,9,10,11,3,15,2,4,14,12,17,13,18,19,16/E:(4,5)(6,7)/rA:20cCCCCCCCCCCCCNCCOCOOC/rB:s1;w2;s3;s4;d5;s6;d7;d4s8;s2;s10;s11;d12;s13;s14;s12s15;s14;d17;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H19NO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:9.13332
Area:497.925
Solvation:-3.3148
Coulombic:-34.5532
Bond Count [?]
All:21
Single:15
Double:6
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:273.327
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.59
LogP (Chemaxon):2.7

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Descriptor Annotations

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