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

C26H24FN5O4 — CID 154054273

IUPACN-[3-[5-cyclopentyl-1-[(2-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(O)c(-c2cc(C3CCCC3)n(C(=O)NCc3ccccc3F)n2)c1)c1ccno1
InChIInChI=1S/C26H24FN5O4/c27-20-8-4-3-7-17(20)15-28-26(35)32-22(16-5-1-2-6-16)14-21(31-32)19-13-18(9-10-23(19)33)30-25(34)24-11-12-29-36-24/h3-4,7-14,16,33H,1-2,5-6,15H2,(H,28,35)(H,30,34)
InChIKeyXDTSLBKKLBJNLD-UHFFFAOYSA-N
MW489.51 g/mol
LogP5.05
Rot. Bonds6

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

N-[3-[5-cyclopentyl-1-[(2-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide (PubChem CID 154054273) has the molecular formula C26H24FN5O4 and a molecular weight of 489.51 g/mol. Its IUPAC name is N-[3-[5-cyclopentyl-1-[(2-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[5-cyclopentyl-1-[(2-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide
PubChem CID154054273
Molecular FormulaC26H24FN5O4
Molecular Weight489.51 g/mol
Exact Mass489.18
IUPAC NameN-[3-[5-cyclopentyl-1-[(2-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(O)c(-c2cc(C3CCCC3)n(C(=O)NCc3ccccc3F)n2)c1)c1ccno1
InChIInChI=1S/C26H24FN5O4/c27-20-8-4-3-7-17(20)15-28-26(35)32-22(16-5-1-2-6-16)14-21(31-32)19-13-18(9-10-23(19)33)30-25(34)24-11-12-29-36-24/h3-4,7-14,16,33H,1-2,5-6,15H2,(H,28,35)(H,30,34)
InChIKeyXDTSLBKKLBJNLD-UHFFFAOYSA-N
XLogP5.05
TPSA122.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.51
LogP ≤ 55.05
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-[1-(benzylcarbamoyl)-5-cyclobutylpyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide
CID 154054301
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
5-cyclopentyl-N-[(2-fluorophenyl)methyl]-3-[2-hydroxy-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide
CID 154055056
3-[5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxyphenyl]-5-cyclopropyl-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 154054446
N-[4-[5-cyclopentyl-1-[(3-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]-1,2-oxazole-5-carboxamide
CID 154055282
N-[(2-chlorophenyl)methyl]-5-cyclopentyl-3-[5-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154054623
2-chloro-N-[4-[5-cyclobutyl-1-[(2-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
CID 154055351
3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-chlorophenyl)methyl]-5-cyclobutylpyrazole-1-carboxamide
CID 154054997
5-cyclobutyl-N-[(2-fluorophenyl)methyl]-3-[2-hydroxy-4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]pyrazole-1-carboxamide
CID 154055245
N-[3-[5-cyclobutyl-1-[(2-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]pyridine-4-carboxamide
CID 154054469
5-cyclopropyl-3-[4-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 154055856

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-cyclopentyl-1-[(2-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[3-[5-cyclopentyl-1-[(2-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide (CID 154054273) is N-[3-[5-cyclopentyl-1-[(2-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-[5-cyclopentyl-1-[(2-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[3-[5-cyclopentyl-1-[(2-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide is O=C(Nc1ccc(O)c(-c2cc(C3CCCC3)n(C(=O)NCc3ccccc3F)n2)c1)c1ccno1.
What is the InChIKey of N-[3-[5-cyclopentyl-1-[(2-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is XDTSLBKKLBJNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O4/c27-20-8-4-3-7-17(20)15-28-26(35)32-22(16-5-1-2-6-16)14-21(31-32)19-13-18(9-10-23(19)33)30-25(34)24-11-12-29-36-24/h3-4,7-14,16,33H,1-2,5-6,15H2,(H,28,35)(H,30,34).
What are the key properties of N-[3-[5-cyclopentyl-1-[(2-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide?
N-[3-[5-cyclopentyl-1-[(2-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 489.51 g/mol, XLogP of 5.05, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-cyclopentyl-1-[(2-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 154054273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).