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

C21H17FN4O2 — CID 3244953

IUPAC5-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(Cn2ccc(NC(=O)c3cc(-c4ccc(F)cc4)on3)n2)cc1
InChIInChI=1S/C21H17FN4O2/c1-14-2-4-15(5-3-14)13-26-11-10-20(24-26)23-21(27)18-12-19(28-25-18)16-6-8-17(22)9-7-16/h2-12H,13H2,1H3,(H,23,24,27)
InChIKeySVCPXVIYKNVQFL-UHFFFAOYSA-N
MW376.39 g/mol
LogP4.29
Rot. Bonds5

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

5-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 3244953) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID3244953
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC Name5-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(Cn2ccc(NC(=O)c3cc(-c4ccc(F)cc4)on3)n2)cc1
InChIInChI=1S/C21H17FN4O2/c1-14-2-4-15(5-3-14)13-26-11-10-20(24-26)23-21(27)18-12-19(28-25-18)16-6-8-17(22)9-7-16/h2-12H,13H2,1H3,(H,23,24,27)
InChIKeySVCPXVIYKNVQFL-UHFFFAOYSA-N
XLogP4.29
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide (CID 3244953) is 5-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide is Cc1ccc(Cn2ccc(NC(=O)c3cc(-c4ccc(F)cc4)on3)n2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is SVCPXVIYKNVQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c1-14-2-4-15(5-3-14)13-26-11-10-20(24-26)23-21(27)18-12-19(28-25-18)16-6-8-17(22)9-7-16/h2-12H,13H2,1H3,(H,23,24,27).
What are the key properties of 5-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide?
5-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 376.39 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3244953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).