N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide

C24H23ClN4O4 — CID 3244893

IUPACN-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)Nc3c(C)nn(Cc4ccccc4Cl)c3C)no2)c1
InChIInChI=1S/C24H23ClN4O4/c1-14-23(15(2)29(27-14)13-16-7-5-6-8-19(16)25)26-24(30)20-12-22(33-28-20)18-11-17(31-3)9-10-21(18)32-4/h5-12H,13H2,1-4H3,(H,26,30)
InChIKeySFGCSPRQYRWLMT-UHFFFAOYSA-N
MW466.93 g/mol
LogP5.13
Rot. Bonds7

About N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide

N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 3244893) has the molecular formula C24H23ClN4O4 and a molecular weight of 466.93 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID3244893
Molecular FormulaC24H23ClN4O4
Molecular Weight466.93 g/mol
Exact Mass466.14
IUPAC NameN-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)Nc3c(C)nn(Cc4ccccc4Cl)c3C)no2)c1
InChIInChI=1S/C24H23ClN4O4/c1-14-23(15(2)29(27-14)13-16-7-5-6-8-19(16)25)26-24(30)20-12-22(33-28-20)18-11-17(31-3)9-10-21(18)32-4/h5-12H,13H2,1-4H3,(H,26,30)
InChIKeySFGCSPRQYRWLMT-UHFFFAOYSA-N
XLogP5.13
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.93
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-{1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl}[5-(3-methoxyphenyl)iso xazol-3-yl]carboxamide
CID 15988736
N-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-2,5-dimethoxybenzamide
CID 57422268
N-[1-(4-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-5-(4-methoxyphenyl)isoxazole-3-carboxamide
CID 3235585
N-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-5-(4-methoxyphenyl)isoxazole-3-carboxamide
CID 3236272
N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-5-(2,5-dimethoxyphenyl)isoxazole-3-carboxamide
CID 3236902
N-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-5-(4-fluorophenyl)isoxazole-3-carboxamide
CID 3237644
N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]-5-(3-methoxyphenyl)isoxazole-3-carboxamide
CID 3238250
N-[3,5-dimethyl-1-(2-methylbenzyl)-1H-pyrazol-4-yl]-5-(3-methoxyphenyl)isoxazole-3-carboxamide
CID 3240170
N-[1-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolyl]-5-(2,5-dimethoxyphenyl)-3-isoxazolecarboxamide
CID 3240323
N-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-5-(3,4-dimethoxyphenyl)isoxazole-3-carboxamide
CID 3240435
N-[1-(4-chlorobenzyl)-5-methyl-1H-pyrazol-3-yl]-5-(3-methoxyphenyl)isoxazole-3-carboxamide
CID 3241972
N-(3-chlorophenyl)-5-(2,5-dimethoxyphenyl)isoxazole-3-carboxamide
CID 3242014

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide (CID 3244893) is N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide is COc1ccc(OC)c(-c2cc(C(=O)Nc3c(C)nn(Cc4ccccc4Cl)c3C)no2)c1.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is SFGCSPRQYRWLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O4/c1-14-23(15(2)29(27-14)13-16-7-5-6-8-19(16)25)26-24(30)20-12-22(33-28-20)18-11-17(31-3)9-10-21(18)32-4/h5-12H,13H2,1-4H3,(H,26,30).
What are the key properties of N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide?
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 466.93 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3244893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).