N-[4-[5-cyclopentyl-1-[(3-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]-1,2-oxazole-5-carboxamide

C27H27N5O4 — CID 154055282

IUPACN-[4-[5-cyclopentyl-1-[(3-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]-1,2-oxazole-5-carboxamide
SMILESCc1cccc(CNC(=O)n2nc(-c3ccc(NC(=O)c4ccno4)cc3O)cc2C2CCCC2)c1
InChIInChI=1S/C27H27N5O4/c1-17-5-4-6-18(13-17)16-28-27(35)32-23(19-7-2-3-8-19)15-22(31-32)21-10-9-20(14-24(21)33)30-26(34)25-11-12-29-36-25/h4-6,9-15,19,33H,2-3,7-8,16H2,1H3,(H,28,35)(H,30,34)
InChIKeyHCBUJURAFSBGEG-UHFFFAOYSA-N
MW485.54 g/mol
LogP5.22
Rot. Bonds6

About N-[4-[5-cyclopentyl-1-[(3-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]-1,2-oxazole-5-carboxamide

N-[4-[5-cyclopentyl-1-[(3-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]-1,2-oxazole-5-carboxamide (PubChem CID 154055282) has the molecular formula C27H27N5O4 and a molecular weight of 485.54 g/mol. Its IUPAC name is N-[4-[5-cyclopentyl-1-[(3-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[5-cyclopentyl-1-[(3-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]-1,2-oxazole-5-carboxamide
PubChem CID154055282
Molecular FormulaC27H27N5O4
Molecular Weight485.54 g/mol
Exact Mass485.21
IUPAC NameN-[4-[5-cyclopentyl-1-[(3-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]-1,2-oxazole-5-carboxamide
SMILESCc1cccc(CNC(=O)n2nc(-c3ccc(NC(=O)c4ccno4)cc3O)cc2C2CCCC2)c1
InChIInChI=1S/C27H27N5O4/c1-17-5-4-6-18(13-17)16-28-27(35)32-23(19-7-2-3-8-19)15-22(31-32)21-10-9-20(14-24(21)33)30-26(34)25-11-12-29-36-25/h4-6,9-15,19,33H,2-3,7-8,16H2,1H3,(H,28,35)(H,30,34)
InChIKeyHCBUJURAFSBGEG-UHFFFAOYSA-N
XLogP5.22
TPSA122.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.54
LogP ≤ 55.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[5-cyclopentyl-1-[(4-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide
CID 154054278
5-cyclopentyl-3-[4-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154055837
N-[3-[1-(benzylcarbamoyl)-5-cyclobutylpyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide
CID 154054301
5-cyclopentyl-3-[4-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154055940
N-[4-[1-[(2-chlorophenyl)methylcarbamoyl]-5-cyclobutylpyrazol-3-yl]-3-hydroxyphenyl]-1,2-oxazole-5-carboxamide
CID 154055297
N-[3-[5-cyclopentyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide
CID 154054277
3-[4-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154056033
3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopentyl-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154055018
N-[3-[5-cyclopentyl-1-[(2-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide
CID 154054273
N-benzyl-5-cyclobutyl-3-[4-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154055651
3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154055045
5-cyclopentyl-3-[2-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154056086

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-cyclopentyl-1-[(3-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[4-[5-cyclopentyl-1-[(3-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]-1,2-oxazole-5-carboxamide (CID 154055282) is N-[4-[5-cyclopentyl-1-[(3-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-[5-cyclopentyl-1-[(3-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[4-[5-cyclopentyl-1-[(3-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]-1,2-oxazole-5-carboxamide is Cc1cccc(CNC(=O)n2nc(-c3ccc(NC(=O)c4ccno4)cc3O)cc2C2CCCC2)c1.
What is the InChIKey of N-[4-[5-cyclopentyl-1-[(3-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is HCBUJURAFSBGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O4/c1-17-5-4-6-18(13-17)16-28-27(35)32-23(19-7-2-3-8-19)15-22(31-32)21-10-9-20(14-24(21)33)30-26(34)25-11-12-29-36-25/h4-6,9-15,19,33H,2-3,7-8,16H2,1H3,(H,28,35)(H,30,34).
What are the key properties of N-[4-[5-cyclopentyl-1-[(3-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]-1,2-oxazole-5-carboxamide?
N-[4-[5-cyclopentyl-1-[(3-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 485.54 g/mol, XLogP of 5.22, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-cyclopentyl-1-[(3-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 154055282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).