1-[(5-phenyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one

C16H11F3N2O2 — CID 7998966

IUPAC1-[(5-phenyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1Cc1ncc(-c2ccccc2)o1
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)12-6-7-15(22)21(9-12)10-14-20-8-13(23-14)11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyBKOBXNDHAHTPKP-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.57
Rot. Bonds3

About 1-[(5-phenyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one

1-[(5-phenyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 7998966) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is 1-[(5-phenyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(5-phenyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID7998966
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC Name1-[(5-phenyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1Cc1ncc(-c2ccccc2)o1
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)12-6-7-15(22)21(9-12)10-14-20-8-13(23-14)11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyBKOBXNDHAHTPKP-UHFFFAOYSA-N
XLogP3.57
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-phenyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[(5-phenyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one (CID 7998966) is 1-[(5-phenyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[(5-phenyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[(5-phenyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one is O=c1ccc(C(F)(F)F)cn1Cc1ncc(-c2ccccc2)o1.
What is the InChIKey of 1-[(5-phenyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is BKOBXNDHAHTPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c17-16(18,19)12-6-7-15(22)21(9-12)10-14-20-8-13(23-14)11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 1-[(5-phenyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
1-[(5-phenyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 320.27 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-phenyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 7998966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).