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

C18H19FN4O2 — CID 20876868

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)n(Cc2c(C(=O)NCc3ccc(F)cc3)noc2C)n1
InChIInChI=1S/C18H19FN4O2/c1-11-8-12(2)23(21-11)10-16-13(3)25-22-17(16)18(24)20-9-14-4-6-15(19)7-5-14/h4-8H,9-10H2,1-3H3,(H,20,24)
InChIKeyQBISHKIKEPIMDD-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.91
Rot. Bonds5

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

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 20876868) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID20876868
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)n(Cc2c(C(=O)NCc3ccc(F)cc3)noc2C)n1
InChIInChI=1S/C18H19FN4O2/c1-11-8-12(2)23(21-11)10-16-13(3)25-22-17(16)18(24)20-9-14-4-6-15(19)7-5-14/h4-8H,9-10H2,1-3H3,(H,20,24)
InChIKeyQBISHKIKEPIMDD-UHFFFAOYSA-N
XLogP2.91
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 20876868) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C)n(Cc2c(C(=O)NCc3ccc(F)cc3)noc2C)n1.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is QBISHKIKEPIMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-11-8-12(2)23(21-11)10-16-13(3)25-22-17(16)18(24)20-9-14-4-6-15(19)7-5-14/h4-8H,9-10H2,1-3H3,(H,20,24).
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 20876868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).