5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide

C16H12FN3O2 — CID 16675997

IUPAC5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1ccccn1)c1ncoc1-c1ccc(F)cc1
InChIInChI=1S/C16H12FN3O2/c17-12-6-4-11(5-7-12)15-14(20-10-22-15)16(21)19-9-13-3-1-2-8-18-13/h1-8,10H,9H2,(H,19,21)
InChIKeyQCOVKJNNDLPNLJ-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.81
Rot. Bonds4

About 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide

5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 16675997) has the molecular formula C16H12FN3O2 and a molecular weight of 297.29 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID16675997
Molecular FormulaC16H12FN3O2
Molecular Weight297.29 g/mol
Exact Mass297.09
IUPAC Name5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1ccccn1)c1ncoc1-c1ccc(F)cc1
InChIInChI=1S/C16H12FN3O2/c17-12-6-4-11(5-7-12)15-14(20-10-22-15)16(21)19-9-13-3-1-2-8-18-13/h1-8,10H,9H2,(H,19,21)
InChIKeyQCOVKJNNDLPNLJ-UHFFFAOYSA-N
XLogP2.81
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.81
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-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide (CID 16675997) is 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide is O=C(NCc1ccccn1)c1ncoc1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is QCOVKJNNDLPNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2/c17-12-6-4-11(5-7-12)15-14(20-10-22-15)16(21)19-9-13-3-1-2-8-18-13/h1-8,10H,9H2,(H,19,21).
What are the key properties of 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide?
5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 297.29 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 16675997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).