(2S)-N-(2-methoxyethyl)-1-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide

C20H25N3O4 — CID 94360991

IUPAC(2S)-N-(2-methoxyethyl)-1-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide
SMILESCOCCNC(=O)[C@@H]1CCCCN1C(=O)c1cc(-c2ccc(C)cc2)on1
InChIInChI=1S/C20H25N3O4/c1-14-6-8-15(9-7-14)18-13-16(22-27-18)20(25)23-11-4-3-5-17(23)19(24)21-10-12-26-2/h6-9,13,17H,3-5,10-12H2,1-2H3,(H,21,24)/t17-/m0/s1
InChIKeyFRAMPAILNARCIH-KRWDZBQOSA-N
MW371.44 g/mol
LogP2.41
Rot. Bonds6

About (2S)-N-(2-methoxyethyl)-1-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide

(2S)-N-(2-methoxyethyl)-1-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide (PubChem CID 94360991) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is (2S)-N-(2-methoxyethyl)-1-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-methoxyethyl)-1-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide
PubChem CID94360991
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name(2S)-N-(2-methoxyethyl)-1-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide
SMILESCOCCNC(=O)[C@@H]1CCCCN1C(=O)c1cc(-c2ccc(C)cc2)on1
InChIInChI=1S/C20H25N3O4/c1-14-6-8-15(9-7-14)18-13-16(22-27-18)20(25)23-11-4-3-5-17(23)19(24)21-10-12-26-2/h6-9,13,17H,3-5,10-12H2,1-2H3,(H,21,24)/t17-/m0/s1
InChIKeyFRAMPAILNARCIH-KRWDZBQOSA-N
XLogP2.41
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-N-(2-methoxyethyl)-1-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide 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

(2S)-1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide
CID 93140596
N-(1,3-benzodioxol-5-ylmethyl)-1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide
CID 51069997
N-[2-(4-methylphenoxy)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 86920742
1-[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
CID 42822388
(2R)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(2-methoxyethyl)piperidine-2-carboxamide
CID 93305294
(2S)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(2-methoxyethyl)piperidine-2-carboxamide
CID 93305293
(2S)-N-phenyl-1-(5-phenyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxamide
CID 30855025
1-[2-(3,4-dichloroanilino)-1,3-thiazole-4-carbonyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 90488367
[5-(4-bromophenyl)-1,2-oxazol-3-yl]-(2-ethylpiperidin-1-yl)methanone
CID 17252757
(2-methylpiperidin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 3158156
(2S)-N-morpholin-4-yl-1-[5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide
CID 93143754
[5-(4-cyclohexylphenyl)-1,2-oxazol-3-yl]-(2-ethylpiperidin-1-yl)methanone
CID 46087237

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methoxyethyl)-1-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-methoxyethyl)-1-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide (CID 94360991) is (2S)-N-(2-methoxyethyl)-1-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-methoxyethyl)-1-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-methoxyethyl)-1-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide is COCCNC(=O)[C@@H]1CCCCN1C(=O)c1cc(-c2ccc(C)cc2)on1.
What is the InChIKey of (2S)-N-(2-methoxyethyl)-1-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide?
The InChIKey is FRAMPAILNARCIH-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-14-6-8-15(9-7-14)18-13-16(22-27-18)20(25)23-11-4-3-5-17(23)19(24)21-10-12-26-2/h6-9,13,17H,3-5,10-12H2,1-2H3,(H,21,24)/t17-/m0/s1.
What are the key properties of (2S)-N-(2-methoxyethyl)-1-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide?
(2S)-N-(2-methoxyethyl)-1-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methoxyethyl)-1-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide is sourced from PubChem (CID 94360991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).