3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]propanamide

C20H27N3O2 — CID 98682462

IUPAC3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]propanamide
SMILESC[C@H]1[C@H](C)CCC[C@@H]1NC(=O)CCc1nc(Cc2ccccc2)no1
InChIInChI=1S/C20H27N3O2/c1-14-7-6-10-17(15(14)2)21-19(24)11-12-20-22-18(23-25-20)13-16-8-4-3-5-9-16/h3-5,8-9,14-15,17H,6-7,10-13H2,1-2H3,(H,21,24)/t14-,15+,17+/m1/s1
InChIKeyWWAVLVHMJXWSMO-VYDXJSESSA-N
MW341.45 g/mol
LogP3.53
Rot. Bonds6

About 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]propanamide

3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]propanamide (PubChem CID 98682462) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]propanamide.

Molecular Properties

Compound Name3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]propanamide
PubChem CID98682462
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]propanamide
SMILESC[C@H]1[C@H](C)CCC[C@@H]1NC(=O)CCc1nc(Cc2ccccc2)no1
InChIInChI=1S/C20H27N3O2/c1-14-7-6-10-17(15(14)2)21-19(24)11-12-20-22-18(23-25-20)13-16-8-4-3-5-9-16/h3-5,8-9,14-15,17H,6-7,10-13H2,1-2H3,(H,21,24)/t14-,15+,17+/m1/s1
InChIKeyWWAVLVHMJXWSMO-VYDXJSESSA-N
XLogP3.53
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 124742438
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 28689919
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51729245
N-[(1R,2R)-2-methylcyclohexyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 94811051
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 94025800
1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-3-(3-phenylpropanoylamino)thiourea
CID 11946125
3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-[(1R,2R)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 124569740
3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 122134159
3-(3-aminophenyl)-N-(2,3-dimethylcyclohexyl)propanamide
CID 43309134
N-(2,3-dimethylcyclohexyl)-4-oxo-4-phenylbutanamide
CID 51165973
N-[2-(hydroxymethyl)cyclopentyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 103774119
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-methylsulfanylpropanamide
CID 118781230

Frequently Asked Questions

What is the IUPAC name of 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]propanamide?
The IUPAC name of 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]propanamide (CID 98682462) is 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]propanamide.
What is the SMILES notation for 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]propanamide?
The canonical SMILES for 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]propanamide is C[C@H]1[C@H](C)CCC[C@@H]1NC(=O)CCc1nc(Cc2ccccc2)no1.
What is the InChIKey of 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]propanamide?
The InChIKey is WWAVLVHMJXWSMO-VYDXJSESSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14-7-6-10-17(15(14)2)21-19(24)11-12-20-22-18(23-25-20)13-16-8-4-3-5-9-16/h3-5,8-9,14-15,17H,6-7,10-13H2,1-2H3,(H,21,24)/t14-,15+,17+/m1/s1.
What are the key properties of 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]propanamide?
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]propanamide has a molecular weight of 341.45 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]propanamide is sourced from PubChem (CID 98682462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).