N-benzyl-2-[5-[(1R,2R)-2-methyl-4-oxocyclohexyl]-1,2,4-oxadiazol-3-yl]acetamide

C18H21N3O3 — CID 99714817

IUPACN-benzyl-2-[5-[(1R,2R)-2-methyl-4-oxocyclohexyl]-1,2,4-oxadiazol-3-yl]acetamide
SMILESC[C@@H]1CC(=O)CC[C@H]1c1nc(CC(=O)NCc2ccccc2)no1
InChIInChI=1S/C18H21N3O3/c1-12-9-14(22)7-8-15(12)18-20-16(21-24-18)10-17(23)19-11-13-5-3-2-4-6-13/h2-6,12,15H,7-11H2,1H3,(H,19,23)/t12-,15-/m1/s1
InChIKeyRRPPBULRTCBIRC-IUODEOHRSA-N
MW327.38 g/mol
LogP2.40
Rot. Bonds5

About N-benzyl-2-[5-[(1R,2R)-2-methyl-4-oxocyclohexyl]-1,2,4-oxadiazol-3-yl]acetamide

N-benzyl-2-[5-[(1R,2R)-2-methyl-4-oxocyclohexyl]-1,2,4-oxadiazol-3-yl]acetamide (PubChem CID 99714817) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-benzyl-2-[5-[(1R,2R)-2-methyl-4-oxocyclohexyl]-1,2,4-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[5-[(1R,2R)-2-methyl-4-oxocyclohexyl]-1,2,4-oxadiazol-3-yl]acetamide
PubChem CID99714817
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-benzyl-2-[5-[(1R,2R)-2-methyl-4-oxocyclohexyl]-1,2,4-oxadiazol-3-yl]acetamide
SMILESC[C@@H]1CC(=O)CC[C@H]1c1nc(CC(=O)NCc2ccccc2)no1
InChIInChI=1S/C18H21N3O3/c1-12-9-14(22)7-8-15(12)18-20-16(21-24-18)10-17(23)19-11-13-5-3-2-4-6-13/h2-6,12,15H,7-11H2,1H3,(H,19,23)/t12-,15-/m1/s1
InChIKeyRRPPBULRTCBIRC-IUODEOHRSA-N
XLogP2.40
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-2-[5-[(1R,2R)-2-methyl-4-oxocyclohexyl]-1,2,4-oxadiazol-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[5-[(1R,2R)-2-methyl-4-oxocyclohexyl]-1,2,4-oxadiazol-3-yl]acetamide?
The IUPAC name of N-benzyl-2-[5-[(1R,2R)-2-methyl-4-oxocyclohexyl]-1,2,4-oxadiazol-3-yl]acetamide (CID 99714817) is N-benzyl-2-[5-[(1R,2R)-2-methyl-4-oxocyclohexyl]-1,2,4-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[5-[(1R,2R)-2-methyl-4-oxocyclohexyl]-1,2,4-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-benzyl-2-[5-[(1R,2R)-2-methyl-4-oxocyclohexyl]-1,2,4-oxadiazol-3-yl]acetamide is C[C@@H]1CC(=O)CC[C@H]1c1nc(CC(=O)NCc2ccccc2)no1.
What is the InChIKey of N-benzyl-2-[5-[(1R,2R)-2-methyl-4-oxocyclohexyl]-1,2,4-oxadiazol-3-yl]acetamide?
The InChIKey is RRPPBULRTCBIRC-IUODEOHRSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-9-14(22)7-8-15(12)18-20-16(21-24-18)10-17(23)19-11-13-5-3-2-4-6-13/h2-6,12,15H,7-11H2,1H3,(H,19,23)/t12-,15-/m1/s1.
What are the key properties of N-benzyl-2-[5-[(1R,2R)-2-methyl-4-oxocyclohexyl]-1,2,4-oxadiazol-3-yl]acetamide?
N-benzyl-2-[5-[(1R,2R)-2-methyl-4-oxocyclohexyl]-1,2,4-oxadiazol-3-yl]acetamide has a molecular weight of 327.38 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[5-[(1R,2R)-2-methyl-4-oxocyclohexyl]-1,2,4-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 99714817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).