2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]acetamide

C21H27N3O3 — CID 95249728

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]acetamide
SMILESCc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)Cc1c(C)noc1C
InChIInChI=1S/C21H27N3O3/c1-13-6-5-9-24(12-13)21(26)17-7-8-19(14(2)10-17)22-20(25)11-18-15(3)23-27-16(18)4/h7-8,10,13H,5-6,9,11-12H2,1-4H3,(H,22,25)/t13-/m0/s1
InChIKeyDHQBXZLOQRHZDW-ZDUSSCGKSA-N
MW369.47 g/mol
LogP3.65
Rot. Bonds4

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]acetamide (PubChem CID 95249728) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]acetamide
PubChem CID95249728
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]acetamide
SMILESCc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)Cc1c(C)noc1C
InChIInChI=1S/C21H27N3O3/c1-13-6-5-9-24(12-13)21(26)17-7-8-19(14(2)10-17)22-20(25)11-18-15(3)23-27-16(18)4/h7-8,10,13H,5-6,9,11-12H2,1-4H3,(H,22,25)/t13-/m0/s1
InChIKeyDHQBXZLOQRHZDW-ZDUSSCGKSA-N
XLogP3.65
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]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

[3-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 51094040
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 29097025
(4-hydrazinyl-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 63212098
[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone
CID 71884742
1,5-dimethyl-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]pyrrole-2-carboxamide
CID 126768610
N-(2,4-dimethylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048965
(4-hydroxy-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 103951613
3-methyl-N-[2-methyl-4-[3-(methylamino)piperidine-1-carbonyl]phenyl]butanamide;hydrochloride
CID 119493105
1-(3-methoxypropyl)-3-[2-methyl-4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]urea
CID 95266911
3-amino-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119753451
N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]morpholine-2-carboxamide
CID 119753458
N-(4-chloro-2-methylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048988

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]acetamide (CID 95249728) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]acetamide is Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)Cc1c(C)noc1C.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]acetamide?
The InChIKey is DHQBXZLOQRHZDW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-13-6-5-9-24(12-13)21(26)17-7-8-19(14(2)10-17)22-20(25)11-18-15(3)23-27-16(18)4/h7-8,10,13H,5-6,9,11-12H2,1-4H3,(H,22,25)/t13-/m0/s1.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]acetamide has a molecular weight of 369.47 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 95249728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).