5-(4-fluoro-3-methylphenyl)-1-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide

C20H17FN4O3 — CID 110411257

IUPAC5-(4-fluoro-3-methylphenyl)-1-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide
SMILESCc1cc(-c2cc(C(=O)Nc3ccc4c(c3)oc(=O)n4C)nn2C)ccc1F
InChIInChI=1S/C20H17FN4O3/c1-11-8-12(4-6-14(11)21)17-10-15(23-25(17)3)19(26)22-13-5-7-16-18(9-13)28-20(27)24(16)2/h4-10H,1-3H3,(H,22,26)
InChIKeyWFBLWXKEZMQZNO-UHFFFAOYSA-N
MW380.38 g/mol
LogP3.23
Rot. Bonds3

About 5-(4-fluoro-3-methylphenyl)-1-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide

5-(4-fluoro-3-methylphenyl)-1-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide (PubChem CID 110411257) has the molecular formula C20H17FN4O3 and a molecular weight of 380.38 g/mol. Its IUPAC name is 5-(4-fluoro-3-methylphenyl)-1-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluoro-3-methylphenyl)-1-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide
PubChem CID110411257
Molecular FormulaC20H17FN4O3
Molecular Weight380.38 g/mol
Exact Mass380.13
IUPAC Name5-(4-fluoro-3-methylphenyl)-1-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide
SMILESCc1cc(-c2cc(C(=O)Nc3ccc4c(c3)oc(=O)n4C)nn2C)ccc1F
InChIInChI=1S/C20H17FN4O3/c1-11-8-12(4-6-14(11)21)17-10-15(23-25(17)3)19(26)22-13-5-7-16-18(9-13)28-20(27)24(16)2/h4-10H,1-3H3,(H,22,26)
InChIKeyWFBLWXKEZMQZNO-UHFFFAOYSA-N
XLogP3.23
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(4-fluoro-3-methylphenyl)-1-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide with MolForge

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Related Compounds

5-(4-fluoro-3-methylphenyl)-1-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 110299644
5-acetamido-2-fluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
CID 71879473
5-(4-fluoro-3-methylphenyl)-1-methyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 110299626
N-(3-bromo-4-methylphenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110299551
N-(3-chlorophenyl)-5-(3,4-difluorophenyl)-1-methylpyrazole-3-carboxamide
CID 42879099
N-(3,4-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 110299497
2-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
CID 53007873
5-(4-fluoro-3-methylphenyl)-1-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxamide
CID 110427015
5-(3-fluorophenyl)-1-methyl-N-(4-methylphenyl)pyrazole-3-carboxamide
CID 42879083
N-(1,3-benzodioxol-5-yl)-5-(4-methoxy-3-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 110336556
N-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766557
N-[2-[4-(dimethylamino)phenyl]ethyl]-5-(4-fluoro-3-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 110307168

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methylphenyl)-1-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide?
The IUPAC name of 5-(4-fluoro-3-methylphenyl)-1-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide (CID 110411257) is 5-(4-fluoro-3-methylphenyl)-1-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-fluoro-3-methylphenyl)-1-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(4-fluoro-3-methylphenyl)-1-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide is Cc1cc(-c2cc(C(=O)Nc3ccc4c(c3)oc(=O)n4C)nn2C)ccc1F.
What is the InChIKey of 5-(4-fluoro-3-methylphenyl)-1-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide?
The InChIKey is WFBLWXKEZMQZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3/c1-11-8-12(4-6-14(11)21)17-10-15(23-25(17)3)19(26)22-13-5-7-16-18(9-13)28-20(27)24(16)2/h4-10H,1-3H3,(H,22,26).
What are the key properties of 5-(4-fluoro-3-methylphenyl)-1-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide?
5-(4-fluoro-3-methylphenyl)-1-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide has a molecular weight of 380.38 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-methylphenyl)-1-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 110411257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).