5-(4-fluorophenyl)-N-(3-methyl-2-pyridinyl)-1,3-oxazole-2-carboxamide

C16H12FN3O2 — CID 16950265

IUPAC5-(4-fluorophenyl)-N-(3-methyl-2-pyridinyl)-1,3-oxazole-2-carboxamide
SMILESCc1cccnc1NC(=O)c1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C16H12FN3O2/c1-10-3-2-8-18-14(10)20-15(21)16-19-9-13(22-16)11-4-6-12(17)7-5-11/h2-9H,1H3,(H,18,20,21)
InChIKeyAKCXZIFTXVUVGH-UHFFFAOYSA-N
MW297.29 g/mol
LogP3.44
Rot. Bonds3

About 5-(4-fluorophenyl)-N-(3-methyl-2-pyridinyl)-1,3-oxazole-2-carboxamide

5-(4-fluorophenyl)-N-(3-methyl-2-pyridinyl)-1,3-oxazole-2-carboxamide (PubChem CID 16950265) has the molecular formula C16H12FN3O2 and a molecular weight of 297.29 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(3-methyl-2-pyridinyl)-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(3-methyl-2-pyridinyl)-1,3-oxazole-2-carboxamide
PubChem CID16950265
Molecular FormulaC16H12FN3O2
Molecular Weight297.29 g/mol
Exact Mass297.09
IUPAC Name5-(4-fluorophenyl)-N-(3-methyl-2-pyridinyl)-1,3-oxazole-2-carboxamide
SMILESCc1cccnc1NC(=O)c1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C16H12FN3O2/c1-10-3-2-8-18-14(10)20-15(21)16-19-9-13(22-16)11-4-6-12(17)7-5-11/h2-9H,1H3,(H,18,20,21)
InChIKeyAKCXZIFTXVUVGH-UHFFFAOYSA-N
XLogP3.44
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(3-methyl-2-pyridinyl)-1,3-oxazole-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(3-methyl-2-pyridinyl)-1,3-oxazole-2-carboxamide (CID 16950265) is 5-(4-fluorophenyl)-N-(3-methyl-2-pyridinyl)-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(3-methyl-2-pyridinyl)-1,3-oxazole-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(3-methyl-2-pyridinyl)-1,3-oxazole-2-carboxamide is Cc1cccnc1NC(=O)c1ncc(-c2ccc(F)cc2)o1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(3-methyl-2-pyridinyl)-1,3-oxazole-2-carboxamide?
The InChIKey is AKCXZIFTXVUVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2/c1-10-3-2-8-18-14(10)20-15(21)16-19-9-13(22-16)11-4-6-12(17)7-5-11/h2-9H,1H3,(H,18,20,21).
What are the key properties of 5-(4-fluorophenyl)-N-(3-methyl-2-pyridinyl)-1,3-oxazole-2-carboxamide?
5-(4-fluorophenyl)-N-(3-methyl-2-pyridinyl)-1,3-oxazole-2-carboxamide has a molecular weight of 297.29 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(3-methyl-2-pyridinyl)-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 16950265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).