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

C24H31N3O4 — CID 110229085

IUPAC3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(2-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(C2CCCN(C(=O)C3CCCCC3)C2)no1
InChIInChI=1S/C24H31N3O4/c1-16-10-11-21(30-2)20(13-16)25-23(28)22-14-19(26-31-22)18-9-6-12-27(15-18)24(29)17-7-4-3-5-8-17/h10-11,13-14,17-18H,3-9,12,15H2,1-2H3,(H,25,28)
InChIKeyNWOUAZFNMOFORL-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.53
Rot. Bonds5

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

3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(2-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 110229085) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is 3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(2-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(2-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxamide
PubChem CID110229085
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(2-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(C2CCCN(C(=O)C3CCCCC3)C2)no1
InChIInChI=1S/C24H31N3O4/c1-16-10-11-21(30-2)20(13-16)25-23(28)22-14-19(26-31-22)18-9-6-12-27(15-18)24(29)17-7-4-3-5-8-17/h10-11,13-14,17-18H,3-9,12,15H2,1-2H3,(H,25,28)
InChIKeyNWOUAZFNMOFORL-UHFFFAOYSA-N
XLogP4.53
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
CID 110229083
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
N-(2-methoxy-5-methylphenyl)-3-methylpiperidine-1-carbothioamide
CID 17282071
N-(2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264475
N-(2-methoxy-5-methylphenyl)pyrrolidine-1-carbothioamide
CID 19653629
ethyl 1-[2-(2-methoxy-5-methylanilino)-2-oxoacetyl]piperidine-3-carboxylate
CID 108515542
N-(cyclohexylmethyl)-3-[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92558001
1-[2-(4-fluorophenyl)acetyl]-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 55738275
N-cyclohexyl-3-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 124999270
N-(2-methoxy-5-methylphenyl)-1-(5-pyridin-4-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
CID 75551381
5-[1-[(2-methoxy-5-methylphenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46376027

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(2-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(2-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxamide (CID 110229085) is 3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(2-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(2-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(2-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxamide is COc1ccc(C)cc1NC(=O)c1cc(C2CCCN(C(=O)C3CCCCC3)C2)no1.
What is the InChIKey of 3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(2-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is NWOUAZFNMOFORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-16-10-11-21(30-2)20(13-16)25-23(28)22-14-19(26-31-22)18-9-6-12-27(15-18)24(29)17-7-4-3-5-8-17/h10-11,13-14,17-18H,3-9,12,15H2,1-2H3,(H,25,28).
What are the key properties of 3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(2-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxamide?
3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(2-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 4.53, 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-(2-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 110229085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).