(2S)-1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide

C24H26N4O3 — CID 93140596

IUPAC(2S)-1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N3CCCC[C@H]3C(=O)NCc3ccccn3)no2)cc1C
InChIInChI=1S/C24H26N4O3/c1-16-9-10-18(13-17(16)2)22-14-20(27-31-22)24(30)28-12-6-4-8-21(28)23(29)26-15-19-7-3-5-11-25-19/h3,5,7,9-11,13-14,21H,4,6,8,12,15H2,1-2H3,(H,26,29)/t21-/m0/s1
InChIKeyKQAXDHUUVCUUMR-NRFANRHFSA-N
MW418.50 g/mol
LogP3.66
Rot. Bonds5

About (2S)-1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide

(2S)-1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide (PubChem CID 93140596) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is (2S)-1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide
PubChem CID93140596
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name(2S)-1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N3CCCC[C@H]3C(=O)NCc3ccccn3)no2)cc1C
InChIInChI=1S/C24H26N4O3/c1-16-9-10-18(13-17(16)2)22-14-20(27-31-22)24(30)28-12-6-4-8-21(28)23(29)26-15-19-7-3-5-11-25-19/h3,5,7,9-11,13-14,21H,4,6,8,12,15H2,1-2H3,(H,26,29)/t21-/m0/s1
InChIKeyKQAXDHUUVCUUMR-NRFANRHFSA-N
XLogP3.66
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide
CID 51069997
1-[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
CID 42822388
(2S)-N-(2-methoxyethyl)-1-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide
CID 94360991
N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78875900
(2S)-N-phenyl-1-(5-phenyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxamide
CID 30855025
(2S)-1-[(2S)-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidine-2-carbonyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 51049673
1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 70725617
1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 51070682
1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 42813255
(2-methylpiperidin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 3158156
[(2R)-2-ethylpiperidin-1-yl]-(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanone
CID 92761255
(2S)-N-[(2-methylpyrimidin-4-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 124626241

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide (CID 93140596) is (2S)-1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide is Cc1ccc(-c2cc(C(=O)N3CCCC[C@H]3C(=O)NCc3ccccn3)no2)cc1C.
What is the InChIKey of (2S)-1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide?
The InChIKey is KQAXDHUUVCUUMR-NRFANRHFSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-16-9-10-18(13-17(16)2)22-14-20(27-31-22)24(30)28-12-6-4-8-21(28)23(29)26-15-19-7-3-5-11-25-19/h3,5,7,9-11,13-14,21H,4,6,8,12,15H2,1-2H3,(H,26,29)/t21-/m0/s1.
What are the key properties of (2S)-1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide?
(2S)-1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide is sourced from PubChem (CID 93140596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).