N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide

C24H24N4O3 — CID 15988695

IUPACN-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccccc4C)c3C)no2)cc1
InChIInChI=1S/C24H24N4O3/c1-15-7-5-6-8-19(15)14-28-17(3)23(16(2)26-28)25-24(29)21-13-22(31-27-21)18-9-11-20(30-4)12-10-18/h5-13H,14H2,1-4H3,(H,25,29)
InChIKeyMTKWQXBEHOKACO-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.77
Rot. Bonds6

About N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide

N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 15988695) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID15988695
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC NameN-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccccc4C)c3C)no2)cc1
InChIInChI=1S/C24H24N4O3/c1-15-7-5-6-8-19(15)14-28-17(3)23(16(2)26-28)25-24(29)21-13-22(31-27-21)18-9-11-20(30-4)12-10-18/h5-13H,14H2,1-4H3,(H,25,29)
InChIKeyMTKWQXBEHOKACO-UHFFFAOYSA-N
XLogP4.77
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3,4-dimethoxyphenyl)-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 22427442
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3240435
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 19335897
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3,5-dimethoxybenzamide
CID 19407877
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3236902
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 19481204
N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 19341356
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 1017891
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 17253035
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273336
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide
CID 19335620
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1-(methoxymethyl)pyrazole-3-carboxamide
CID 19270729

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 15988695) is N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide is COc1ccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccccc4C)c3C)no2)cc1.
What is the InChIKey of N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is MTKWQXBEHOKACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-15-7-5-6-8-19(15)14-28-17(3)23(16(2)26-28)25-24(29)21-13-22(31-27-21)18-9-11-20(30-4)12-10-18/h5-13H,14H2,1-4H3,(H,25,29).
What are the key properties of N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 15988695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).