N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide

C21H20N4O3 — CID 75514166

IUPACN-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide
SMILESCc1cc(C)cc(-n2nc(C)cc2NC(=O)c2cccc3c2oc(=O)n3C)c1
InChIInChI=1S/C21H20N4O3/c1-12-8-13(2)10-15(9-12)25-18(11-14(3)23-25)22-20(26)16-6-5-7-17-19(16)28-21(27)24(17)4/h5-11H,1-4H3,(H,22,26)
InChIKeyUCBGEEUICZZUOZ-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.49
Rot. Bonds3

About N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide

N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide (PubChem CID 75514166) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide
PubChem CID75514166
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide
SMILESCc1cc(C)cc(-n2nc(C)cc2NC(=O)c2cccc3c2oc(=O)n3C)c1
InChIInChI=1S/C21H20N4O3/c1-12-8-13(2)10-15(9-12)25-18(11-14(3)23-25)22-20(26)16-6-5-7-17-19(16)28-21(27)24(17)4/h5-11H,1-4H3,(H,22,26)
InChIKeyUCBGEEUICZZUOZ-UHFFFAOYSA-N
XLogP3.49
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-oxo-1,3-benzoxazole-7-carboxamide
CID 75514169
N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 60591904
(2S)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 97311116
2-(difluoromethoxy)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]benzamide
CID 55377247
3-methyl-2-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-benzoxazole-7-carboxamide
CID 75446985
2-bromo-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-5-fluorobenzamide
CID 55481146
2-chloro-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-4-fluorobenzamide
CID 55377398
N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-5-fluoro-2-methoxybenzamide
CID 55520394
2-chloro-3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 138993742
N-(5-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide
CID 132971353
3-(cyclopropylsulfamoyl)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]benzamide
CID 55480080
N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide
CID 55772768

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide (CID 75514166) is N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide is Cc1cc(C)cc(-n2nc(C)cc2NC(=O)c2cccc3c2oc(=O)n3C)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide?
The InChIKey is UCBGEEUICZZUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-12-8-13(2)10-15(9-12)25-18(11-14(3)23-25)22-20(26)16-6-5-7-17-19(16)28-21(27)24(17)4/h5-11H,1-4H3,(H,22,26).
What are the key properties of N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide?
N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide is sourced from PubChem (CID 75514166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).