N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)acetamide

C17H21N5O4 — CID 52539348

IUPACN-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)acetamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)Cn1c(-c2ccccn2)noc1=O
InChIInChI=1S/C17H21N5O4/c1-11-6-2-3-7-12(11)19-16(24)20-14(23)10-22-15(21-26-17(22)25)13-8-4-5-9-18-13/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3,(H2,19,20,23,24)/t11-,12+/m1/s1
InChIKeyPFAMIFFEZXPXNB-NEPJUHHUSA-N
MW359.39 g/mol
LogP1.30
Rot. Bonds4

About N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)acetamide

N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)acetamide (PubChem CID 52539348) has the molecular formula C17H21N5O4 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)acetamide
PubChem CID52539348
Molecular FormulaC17H21N5O4
Molecular Weight359.39 g/mol
Exact Mass359.16
IUPAC NameN-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)acetamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)Cn1c(-c2ccccn2)noc1=O
InChIInChI=1S/C17H21N5O4/c1-11-6-2-3-7-12(11)19-16(24)20-14(23)10-22-15(21-26-17(22)25)13-8-4-5-9-18-13/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3,(H2,19,20,23,24)/t11-,12+/m1/s1
InChIKeyPFAMIFFEZXPXNB-NEPJUHHUSA-N
XLogP1.30
TPSA119.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-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

Related Compounds

N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 52539350
N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-2-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 52539349
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 8986591
N-[(2-methylcyclohexyl)carbamoyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 17450417
[2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-phenoxyacetate
CID 11920173
N-[(2-methylcyclohexyl)carbamoyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 46807610
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(2-methylcyclohexyl)acetamide
CID 108794994
N-(2-methylcyclohexyl)-N'-pyridin-2-yloxamide
CID 108524992
[2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 4-(2-oxo-1,3-benzoxazol-3-yl)butanoate
CID 55310892
2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 30618549
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 9120378
N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 8594512

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)acetamide?
The IUPAC name of N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)acetamide (CID 52539348) is N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)acetamide.
What is the SMILES notation for N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)acetamide?
The canonical SMILES for N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)acetamide is C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)Cn1c(-c2ccccn2)noc1=O.
What is the InChIKey of N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)acetamide?
The InChIKey is PFAMIFFEZXPXNB-NEPJUHHUSA-N. The full InChI is InChI=1S/C17H21N5O4/c1-11-6-2-3-7-12(11)19-16(24)20-14(23)10-22-15(21-26-17(22)25)13-8-4-5-9-18-13/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3,(H2,19,20,23,24)/t11-,12+/m1/s1.
What are the key properties of N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)acetamide?
N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)acetamide has a molecular weight of 359.39 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)acetamide is sourced from PubChem (CID 52539348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).