2-(4-cyanophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide

C20H22N4O3 — CID 58505513

IUPAC2-(4-cyanophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1coc(-c2ccc(C#N)cc2)n1)C1CCCCC1
InChIInChI=1S/C20H22N4O3/c1-22-19(26)17(14-5-3-2-4-6-14)24-18(25)16-12-27-20(23-16)15-9-7-13(11-21)8-10-15/h7-10,12,14,17H,2-6H2,1H3,(H,22,26)(H,24,25)/t17-/m0/s1
InChIKeyOCDQXPWCRFFFNK-KRWDZBQOSA-N
MW366.42 g/mol
LogP2.64
Rot. Bonds5

About 2-(4-cyanophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide

2-(4-cyanophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide (PubChem CID 58505513) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide
PubChem CID58505513
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name2-(4-cyanophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1coc(-c2ccc(C#N)cc2)n1)C1CCCCC1
InChIInChI=1S/C20H22N4O3/c1-22-19(26)17(14-5-3-2-4-6-14)24-18(25)16-12-27-20(23-16)15-9-7-13(11-21)8-10-15/h7-10,12,14,17H,2-6H2,1H3,(H,22,26)(H,24,25)/t17-/m0/s1
InChIKeyOCDQXPWCRFFFNK-KRWDZBQOSA-N
XLogP2.64
TPSA108.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-cyanophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

5-(4-cyanophenyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
CID 76807256
4-(4-cyanophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide
CID 46207023
2-(4-cyanophenyl)-1,3-oxazole-4-carboxylic acid
CID 62234615
(2R)-2-acetamido-N-(4-cyanophenyl)-2-cyclopentylacetamide
CID 25469679
4-(5-cyano-2-pyridinyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide
CID 58505465
5-(4-cyanophenyl)-N-[1-cyclohexyl-2-(2-methoxyethylamino)-2-oxoethyl]furan-2-carboxamide
CID 75148133
N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(4-methylphenyl)furan-2-carboxamide
CID 74960677
N-cyclododecyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 84557279
N-(4-cyanophenyl)-2-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109311519
5-(2-acetamido-3H-benzimidazol-5-yl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
CID 77185504
2-(4-aminophenyl)-N-cyclobutyl-1,3-oxazole-4-carboxamide
CID 3871183
N-[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 70225462

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(4-cyanophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide (CID 58505513) is 2-(4-cyanophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide is CNC(=O)[C@@H](NC(=O)c1coc(-c2ccc(C#N)cc2)n1)C1CCCCC1.
What is the InChIKey of 2-(4-cyanophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is OCDQXPWCRFFFNK-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-22-19(26)17(14-5-3-2-4-6-14)24-18(25)16-12-27-20(23-16)15-9-7-13(11-21)8-10-15/h7-10,12,14,17H,2-6H2,1H3,(H,22,26)(H,24,25)/t17-/m0/s1.
What are the key properties of 2-(4-cyanophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide?
2-(4-cyanophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 58505513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).