4-phenyl-5-pyridin-4-yl-3H-1,3-oxazol-2-one

C14H10N2O2 — CID 15670491

IUPAC4-phenyl-5-pyridin-4-yl-3H-1,3-oxazol-2-one
SMILESO=c1[nH]c(-c2ccccc2)c(-c2ccncc2)o1
InChIInChI=1S/C14H10N2O2/c17-14-16-12(10-4-2-1-3-5-10)13(18-14)11-6-8-15-9-7-11/h1-9H,(H,16,17)
InChIKeyTVORJBKMRJTWDE-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.70
Rot. Bonds2

About 4-phenyl-5-pyridin-4-yl-3H-1,3-oxazol-2-one

4-phenyl-5-pyridin-4-yl-3H-1,3-oxazol-2-one (PubChem CID 15670491) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-phenyl-5-pyridin-4-yl-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name4-phenyl-5-pyridin-4-yl-3H-1,3-oxazol-2-one
PubChem CID15670491
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name4-phenyl-5-pyridin-4-yl-3H-1,3-oxazol-2-one
SMILESO=c1[nH]c(-c2ccccc2)c(-c2ccncc2)o1
InChIInChI=1S/C14H10N2O2/c17-14-16-12(10-4-2-1-3-5-10)13(18-14)11-6-8-15-9-7-11/h1-9H,(H,16,17)
InChIKeyTVORJBKMRJTWDE-UHFFFAOYSA-N
XLogP2.70
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-pyridin-4-yl-3H-1,3-oxazol-2-one?
The IUPAC name of 4-phenyl-5-pyridin-4-yl-3H-1,3-oxazol-2-one (CID 15670491) is 4-phenyl-5-pyridin-4-yl-3H-1,3-oxazol-2-one.
What is the SMILES notation for 4-phenyl-5-pyridin-4-yl-3H-1,3-oxazol-2-one?
The canonical SMILES for 4-phenyl-5-pyridin-4-yl-3H-1,3-oxazol-2-one is O=c1[nH]c(-c2ccccc2)c(-c2ccncc2)o1.
What is the InChIKey of 4-phenyl-5-pyridin-4-yl-3H-1,3-oxazol-2-one?
The InChIKey is TVORJBKMRJTWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c17-14-16-12(10-4-2-1-3-5-10)13(18-14)11-6-8-15-9-7-11/h1-9H,(H,16,17).
What are the key properties of 4-phenyl-5-pyridin-4-yl-3H-1,3-oxazol-2-one?
4-phenyl-5-pyridin-4-yl-3H-1,3-oxazol-2-one has a molecular weight of 238.25 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-pyridin-4-yl-3H-1,3-oxazol-2-one is sourced from PubChem (CID 15670491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).