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

C16H15FN4O2 — CID 19452259

IUPAC5-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCN(Cc1ccn(C)n1)C(=O)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C16H15FN4O2/c1-20(10-13-7-8-21(2)18-13)16(22)14-9-15(23-19-14)11-3-5-12(17)6-4-11/h3-9H,10H2,1-2H3
InChIKeyKFOPBBYXTYXTGQ-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.49
Rot. Bonds4

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

5-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 19452259) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID19452259
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC Name5-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCN(Cc1ccn(C)n1)C(=O)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C16H15FN4O2/c1-20(10-13-7-8-21(2)18-13)16(22)14-9-15(23-19-14)11-3-5-12(17)6-4-11/h3-9H,10H2,1-2H3
InChIKeyKFOPBBYXTYXTGQ-UHFFFAOYSA-N
XLogP2.49
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide (CID 19452259) is 5-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide is CN(Cc1ccn(C)n1)C(=O)c1cc(-c2ccc(F)cc2)on1.
What is the InChIKey of 5-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is KFOPBBYXTYXTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2/c1-20(10-13-7-8-21(2)18-13)16(22)14-9-15(23-19-14)11-3-5-12(17)6-4-11/h3-9H,10H2,1-2H3.
What are the key properties of 5-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide?
5-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 314.32 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19452259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).