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

C26H23Cl2N5O4 — CID 154054277

IUPACN-[3-[5-cyclopentyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(O)c(-c2cc(C3CCCC3)n(C(=O)NCc3ccc(Cl)c(Cl)c3)n2)c1)c1ccno1
InChIInChI=1S/C26H23Cl2N5O4/c27-19-7-5-15(11-20(19)28)14-29-26(36)33-22(16-3-1-2-4-16)13-21(32-33)18-12-17(6-8-23(18)34)31-25(35)24-9-10-30-37-24/h5-13,16,34H,1-4,14H2,(H,29,36)(H,31,35)
InChIKeyNOTGCWMWIXPILH-UHFFFAOYSA-N
MW540.41 g/mol
LogP6.22
Rot. Bonds6

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

N-[3-[5-cyclopentyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide (PubChem CID 154054277) has the molecular formula C26H23Cl2N5O4 and a molecular weight of 540.41 g/mol. Its IUPAC name is N-[3-[5-cyclopentyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[5-cyclopentyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide
PubChem CID154054277
Molecular FormulaC26H23Cl2N5O4
Molecular Weight540.41 g/mol
Exact Mass539.11
IUPAC NameN-[3-[5-cyclopentyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(O)c(-c2cc(C3CCCC3)n(C(=O)NCc3ccc(Cl)c(Cl)c3)n2)c1)c1ccno1
InChIInChI=1S/C26H23Cl2N5O4/c27-19-7-5-15(11-20(19)28)14-29-26(36)33-22(16-3-1-2-4-16)13-21(32-33)18-12-17(6-8-23(18)34)31-25(35)24-9-10-30-37-24/h5-13,16,34H,1-4,14H2,(H,29,36)(H,31,35)
InChIKeyNOTGCWMWIXPILH-UHFFFAOYSA-N
XLogP6.22
TPSA122.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.41
LogP ≤ 56.22
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-[1-(benzylcarbamoyl)-5-cyclobutylpyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide
CID 154054301
N-[3-[5-cyclopentyl-1-[(2-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide
CID 154054273
3-[5-[(4-tert-butylbenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(3,4-dichlorophenyl)methyl]pyrazole-1-carboxamide
CID 154054937
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
3-(5-acetamido-2-hydroxyphenyl)-5-cyclopentyl-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 154054774
5-cyclobutyl-N-[(3,4-dichlorophenyl)methyl]-3-[4-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154055851
N-benzyl-3-[5-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutylpyrazole-1-carboxamide
CID 154055185
N-[4-[5-cyclobutyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
CID 154055470
N-[(2-chlorophenyl)methyl]-5-cyclopentyl-3-[5-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154054623
3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopentyl-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154055018

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-cyclopentyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[3-[5-cyclopentyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide (CID 154054277) is N-[3-[5-cyclopentyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-[5-cyclopentyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[3-[5-cyclopentyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide is O=C(Nc1ccc(O)c(-c2cc(C3CCCC3)n(C(=O)NCc3ccc(Cl)c(Cl)c3)n2)c1)c1ccno1.
What is the InChIKey of N-[3-[5-cyclopentyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is NOTGCWMWIXPILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2N5O4/c27-19-7-5-15(11-20(19)28)14-29-26(36)33-22(16-3-1-2-4-16)13-21(32-33)18-12-17(6-8-23(18)34)31-25(35)24-9-10-30-37-24/h5-13,16,34H,1-4,14H2,(H,29,36)(H,31,35).
What are the key properties of N-[3-[5-cyclopentyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide?
N-[3-[5-cyclopentyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 540.41 g/mol, XLogP of 6.22, 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-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 154054277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).