N-[3-[1-(benzylcarbamoyl)-5-cyclobutylpyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide

C25H23N5O4 — CID 154054301

IUPACN-[3-[1-(benzylcarbamoyl)-5-cyclobutylpyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(O)c(-c2cc(C3CCC3)n(C(=O)NCc3ccccc3)n2)c1)c1ccno1
InChIInChI=1S/C25H23N5O4/c31-22-10-9-18(28-24(32)23-11-12-27-34-23)13-19(22)20-14-21(17-7-4-8-17)30(29-20)25(33)26-15-16-5-2-1-3-6-16/h1-3,5-6,9-14,17,31H,4,7-8,15H2,(H,26,33)(H,28,32)
InChIKeyQVOAXHXJCPWSRS-UHFFFAOYSA-N
MW457.49 g/mol
LogP4.52
Rot. Bonds6

About N-[3-[1-(benzylcarbamoyl)-5-cyclobutylpyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide

N-[3-[1-(benzylcarbamoyl)-5-cyclobutylpyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide (PubChem CID 154054301) has the molecular formula C25H23N5O4 and a molecular weight of 457.49 g/mol. Its IUPAC name is N-[3-[1-(benzylcarbamoyl)-5-cyclobutylpyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[1-(benzylcarbamoyl)-5-cyclobutylpyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide
PubChem CID154054301
Molecular FormulaC25H23N5O4
Molecular Weight457.49 g/mol
Exact Mass457.18
IUPAC NameN-[3-[1-(benzylcarbamoyl)-5-cyclobutylpyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(O)c(-c2cc(C3CCC3)n(C(=O)NCc3ccccc3)n2)c1)c1ccno1
InChIInChI=1S/C25H23N5O4/c31-22-10-9-18(28-24(32)23-11-12-27-34-23)13-19(22)20-14-21(17-7-4-8-17)30(29-20)25(33)26-15-16-5-2-1-3-6-16/h1-3,5-6,9-14,17,31H,4,7-8,15H2,(H,26,33)(H,28,32)
InChIKeyQVOAXHXJCPWSRS-UHFFFAOYSA-N
XLogP4.52
TPSA122.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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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
N-[3-[5-cyclopentyl-1-[(2-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide
CID 154054273
N-[3-[5-cyclopentyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide
CID 154054277
N-benzyl-3-[5-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutylpyrazole-1-carboxamide
CID 154055185
N-[4-[1-[(2-chlorophenyl)methylcarbamoyl]-5-cyclobutylpyrazol-3-yl]-3-hydroxyphenyl]-1,2-oxazole-5-carboxamide
CID 154055297
N-[4-[5-cyclopentyl-1-[(3-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]-1,2-oxazole-5-carboxamide
CID 154055282
N-benzyl-5-cyclobutyl-3-[4-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154055651
N-benzyl-5-cyclopentyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154054851
N-benzyl-5-cyclobutyl-3-[2-hydroxy-4-(thiophene-2-carbonylamino)phenyl]pyrazole-1-carboxamide
CID 154055598
N-[(2-chlorophenyl)methyl]-5-cyclopentyl-3-[5-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154054623
3-(5-acetamido-2-hydroxyphenyl)-5-cyclopentyl-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 154054774
N-[4-[1-(benzylcarbamoyl)-5-cyclopentylpyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
CID 154055504

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(benzylcarbamoyl)-5-cyclobutylpyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[3-[1-(benzylcarbamoyl)-5-cyclobutylpyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide (CID 154054301) is N-[3-[1-(benzylcarbamoyl)-5-cyclobutylpyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-[1-(benzylcarbamoyl)-5-cyclobutylpyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[3-[1-(benzylcarbamoyl)-5-cyclobutylpyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide is O=C(Nc1ccc(O)c(-c2cc(C3CCC3)n(C(=O)NCc3ccccc3)n2)c1)c1ccno1.
What is the InChIKey of N-[3-[1-(benzylcarbamoyl)-5-cyclobutylpyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is QVOAXHXJCPWSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O4/c31-22-10-9-18(28-24(32)23-11-12-27-34-23)13-19(22)20-14-21(17-7-4-8-17)30(29-20)25(33)26-15-16-5-2-1-3-6-16/h1-3,5-6,9-14,17,31H,4,7-8,15H2,(H,26,33)(H,28,32).
What are the key properties of N-[3-[1-(benzylcarbamoyl)-5-cyclobutylpyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide?
N-[3-[1-(benzylcarbamoyl)-5-cyclobutylpyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 457.49 g/mol, XLogP of 4.52, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(benzylcarbamoyl)-5-cyclobutylpyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 154054301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).