4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide

C24H23N5O3 — CID 20934582

IUPAC4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCC(=O)Nc1c(-c2ccc(C)cc2)c(C)nn1-c1ccc(C(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C24H23N5O3/c1-14-5-7-18(8-6-14)22-16(3)27-29(23(22)25-17(4)30)20-11-9-19(10-12-20)24(31)26-21-13-15(2)32-28-21/h5-13H,1-4H3,(H,25,30)(H,26,28,31)
InChIKeyXKYOLSVJHLSIEL-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.66
Rot. Bonds5

About 4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide

4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide (PubChem CID 20934582) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
PubChem CID20934582
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCC(=O)Nc1c(-c2ccc(C)cc2)c(C)nn1-c1ccc(C(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C24H23N5O3/c1-14-5-7-18(8-6-14)22-16(3)27-29(23(22)25-17(4)30)20-11-9-19(10-12-20)24(31)26-21-13-15(2)32-28-21/h5-13H,1-4H3,(H,25,30)(H,26,28,31)
InChIKeyXKYOLSVJHLSIEL-UHFFFAOYSA-N
XLogP4.66
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-pyridin-2-ylbenzamide
CID 46334892
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CID 46334913
4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-benzylbenzamide
CID 46334888
4-[5-acetamido-4-(4-fluorophenyl)-3-methylpyrazol-1-yl]-N-(3-methylphenyl)benzamide
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4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92873032
4-[5-acetamido-4-(4-chlorophenyl)-3-methylpyrazol-1-yl]-N-propan-2-ylbenzamide
CID 46334908
4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)benzamide
CID 46334859
4-[5-acetamido-4-(4-chlorophenyl)-3-methylpyrazol-1-yl]-N-[(2S)-butan-2-yl]benzamide
CID 92873034
4-[5-acetamido-4-(4-fluorophenyl)-3-methylpyrazol-1-yl]-N-cyclopropylbenzamide
CID 46334938
4-methyl-N-(6-methyl-5-oxo-2,4-diphenylpyridazin-3-yl)benzamide
CID 2031982
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The IUPAC name of 4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide (CID 20934582) is 4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide is CC(=O)Nc1c(-c2ccc(C)cc2)c(C)nn1-c1ccc(C(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of 4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The InChIKey is XKYOLSVJHLSIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-14-5-7-18(8-6-14)22-16(3)27-29(23(22)25-17(4)30)20-11-9-19(10-12-20)24(31)26-21-13-15(2)32-28-21/h5-13H,1-4H3,(H,25,30)(H,26,28,31).
What are the key properties of 4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide has a molecular weight of 429.48 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 20934582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).