2-(2-fluorophenyl)-5-methyl-N-[4-(3-methyl-2-pyridinyl)-1,3-oxazol-2-yl]pyrazole-3-carboxamide

C20H16FN5O2 — CID 176859290

IUPAC2-(2-fluorophenyl)-5-methyl-N-[4-(3-methyl-2-pyridinyl)-1,3-oxazol-2-yl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc(-c3ncccc3C)co2)n(-c2ccccc2F)n1
InChIInChI=1S/C20H16FN5O2/c1-12-6-5-9-22-18(12)15-11-28-20(23-15)24-19(27)17-10-13(2)25-26(17)16-8-4-3-7-14(16)21/h3-11H,1-2H3,(H,23,24,27)
InChIKeyKJCIWHWCNNHJLM-UHFFFAOYSA-N
MW377.38 g/mol
LogP3.93
Rot. Bonds4

About 2-(2-fluorophenyl)-5-methyl-N-[4-(3-methyl-2-pyridinyl)-1,3-oxazol-2-yl]pyrazole-3-carboxamide

2-(2-fluorophenyl)-5-methyl-N-[4-(3-methyl-2-pyridinyl)-1,3-oxazol-2-yl]pyrazole-3-carboxamide (PubChem CID 176859290) has the molecular formula C20H16FN5O2 and a molecular weight of 377.38 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-methyl-N-[4-(3-methyl-2-pyridinyl)-1,3-oxazol-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-methyl-N-[4-(3-methyl-2-pyridinyl)-1,3-oxazol-2-yl]pyrazole-3-carboxamide
PubChem CID176859290
Molecular FormulaC20H16FN5O2
Molecular Weight377.38 g/mol
Exact Mass377.13
IUPAC Name2-(2-fluorophenyl)-5-methyl-N-[4-(3-methyl-2-pyridinyl)-1,3-oxazol-2-yl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc(-c3ncccc3C)co2)n(-c2ccccc2F)n1
InChIInChI=1S/C20H16FN5O2/c1-12-6-5-9-22-18(12)15-11-28-20(23-15)24-19(27)17-10-13(2)25-26(17)16-8-4-3-7-14(16)21/h3-11H,1-2H3,(H,23,24,27)
InChIKeyKJCIWHWCNNHJLM-UHFFFAOYSA-N
XLogP3.93
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-methyl-N-[4-(3-methyl-2-pyridinyl)-1,3-oxazol-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-(2-fluorophenyl)-5-methyl-N-[4-(3-methyl-2-pyridinyl)-1,3-oxazol-2-yl]pyrazole-3-carboxamide (CID 176859290) is 2-(2-fluorophenyl)-5-methyl-N-[4-(3-methyl-2-pyridinyl)-1,3-oxazol-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-(2-fluorophenyl)-5-methyl-N-[4-(3-methyl-2-pyridinyl)-1,3-oxazol-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-(2-fluorophenyl)-5-methyl-N-[4-(3-methyl-2-pyridinyl)-1,3-oxazol-2-yl]pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2nc(-c3ncccc3C)co2)n(-c2ccccc2F)n1.
What is the InChIKey of 2-(2-fluorophenyl)-5-methyl-N-[4-(3-methyl-2-pyridinyl)-1,3-oxazol-2-yl]pyrazole-3-carboxamide?
The InChIKey is KJCIWHWCNNHJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2/c1-12-6-5-9-22-18(12)15-11-28-20(23-15)24-19(27)17-10-13(2)25-26(17)16-8-4-3-7-14(16)21/h3-11H,1-2H3,(H,23,24,27).
What are the key properties of 2-(2-fluorophenyl)-5-methyl-N-[4-(3-methyl-2-pyridinyl)-1,3-oxazol-2-yl]pyrazole-3-carboxamide?
2-(2-fluorophenyl)-5-methyl-N-[4-(3-methyl-2-pyridinyl)-1,3-oxazol-2-yl]pyrazole-3-carboxamide has a molecular weight of 377.38 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-methyl-N-[4-(3-methyl-2-pyridinyl)-1,3-oxazol-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 176859290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).