3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide

C23H29N3O4 — CID 110229083

IUPAC3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C3CCCN(C(=O)C4CCCCC4)C3)no2)cc1
InChIInChI=1S/C23H29N3O4/c1-29-19-11-9-18(10-12-19)24-22(27)21-14-20(25-30-21)17-8-5-13-26(15-17)23(28)16-6-3-2-4-7-16/h9-12,14,16-17H,2-8,13,15H2,1H3,(H,24,27)
InChIKeyGYOIOMHEEPLDFT-UHFFFAOYSA-N
MW411.50 g/mol
LogP4.22
Rot. Bonds5

About 3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide

3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 110229083) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
PubChem CID110229083
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C3CCCN(C(=O)C4CCCCC4)C3)no2)cc1
InChIInChI=1S/C23H29N3O4/c1-29-19-11-9-18(10-12-19)24-22(27)21-14-20(25-30-21)17-8-5-13-26(15-17)23(28)16-6-3-2-4-7-16/h9-12,14,16-17H,2-8,13,15H2,1H3,(H,24,27)
InChIKeyGYOIOMHEEPLDFT-UHFFFAOYSA-N
XLogP4.22
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(2-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxamide
CID 110229085
3-[(3R)-1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(2-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide
CID 92581242
1-[4-[3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,2-oxazole-5-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 110229079
3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-phenyl-1,2-oxazole-5-carboxamide
CID 110252055
2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-N-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 110084692
cyclohexyl-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 121146925
(3S)-N-(4-methoxyphenyl)-3-(pyrrolidine-1-carbonyl)piperidine-1-carbothioamide
CID 1257728
N-(4-methoxyphenyl)-5-[(3S)-3-(piperidine-1-carbonyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 92890782
cyclopentyl-[3-(4-methoxybenzoyl)piperidin-1-yl]methanone
CID 110394678
cyclopropyl-[(3S)-3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 99883367
cyclopropyl-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 73168589
(3R)-N-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 1456358

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide (CID 110229083) is 3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide is COc1ccc(NC(=O)c2cc(C3CCCN(C(=O)C4CCCCC4)C3)no2)cc1.
What is the InChIKey of 3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is GYOIOMHEEPLDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-29-19-11-9-18(10-12-19)24-22(27)21-14-20(25-30-21)17-8-5-13-26(15-17)23(28)16-6-3-2-4-7-16/h9-12,14,16-17H,2-8,13,15H2,1H3,(H,24,27).
What are the key properties of 3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide?
3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 411.50 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 110229083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).