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

C20H19FN6O2 — CID 46969493

IUPAC3-(1,5-dimethylpyrazol-4-yl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide
SMILESCc1c(-c2cc(C(=O)NC(c3ccc(F)cc3)c3nccn3C)on2)cnn1C
InChIInChI=1S/C20H19FN6O2/c1-12-15(11-23-27(12)3)16-10-17(29-25-16)20(28)24-18(19-22-8-9-26(19)2)13-4-6-14(21)7-5-13/h4-11,18H,1-3H3,(H,24,28)
InChIKeyOROAYAGGKNXIAN-UHFFFAOYSA-N
MW394.41 g/mol
LogP2.78
Rot. Bonds5

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

3-(1,5-dimethylpyrazol-4-yl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide (PubChem CID 46969493) has the molecular formula C20H19FN6O2 and a molecular weight of 394.41 g/mol. Its IUPAC name is 3-(1,5-dimethylpyrazol-4-yl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(1,5-dimethylpyrazol-4-yl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide
PubChem CID46969493
Molecular FormulaC20H19FN6O2
Molecular Weight394.41 g/mol
Exact Mass394.16
IUPAC Name3-(1,5-dimethylpyrazol-4-yl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide
SMILESCc1c(-c2cc(C(=O)NC(c3ccc(F)cc3)c3nccn3C)on2)cnn1C
InChIInChI=1S/C20H19FN6O2/c1-12-15(11-23-27(12)3)16-10-17(29-25-16)20(28)24-18(19-22-8-9-26(19)2)13-4-6-14(21)7-5-13/h4-11,18H,1-3H3,(H,24,28)
InChIKeyOROAYAGGKNXIAN-UHFFFAOYSA-N
XLogP2.78
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide (CID 46969493) is 3-(1,5-dimethylpyrazol-4-yl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(1,5-dimethylpyrazol-4-yl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(1,5-dimethylpyrazol-4-yl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide is Cc1c(-c2cc(C(=O)NC(c3ccc(F)cc3)c3nccn3C)on2)cnn1C.
What is the InChIKey of 3-(1,5-dimethylpyrazol-4-yl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is OROAYAGGKNXIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O2/c1-12-15(11-23-27(12)3)16-10-17(29-25-16)20(28)24-18(19-22-8-9-26(19)2)13-4-6-14(21)7-5-13/h4-11,18H,1-3H3,(H,24,28).
What are the key properties of 3-(1,5-dimethylpyrazol-4-yl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide?
3-(1,5-dimethylpyrazol-4-yl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 394.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethylpyrazol-4-yl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46969493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).