4-[5-(4-fluorophenyl)-3-propan-2-yl-1,2-oxazol-4-yl]-1H-pyridin-2-one

C17H15FN2O2 — CID 139071472

IUPAC4-[5-(4-fluorophenyl)-3-propan-2-yl-1,2-oxazol-4-yl]-1H-pyridin-2-one
SMILESCC(C)c1noc(-c2ccc(F)cc2)c1-c1cc[nH]c(=O)c1
InChIInChI=1S/C17H15FN2O2/c1-10(2)16-15(12-7-8-19-14(21)9-12)17(22-20-16)11-3-5-13(18)6-4-11/h3-10H,1-2H3,(H,19,21)
InChIKeyOGTRHHSRYUZDRB-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.96
Rot. Bonds3

About 4-[5-(4-fluorophenyl)-3-propan-2-yl-1,2-oxazol-4-yl]-1H-pyridin-2-one

4-[5-(4-fluorophenyl)-3-propan-2-yl-1,2-oxazol-4-yl]-1H-pyridin-2-one (PubChem CID 139071472) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-propan-2-yl-1,2-oxazol-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-propan-2-yl-1,2-oxazol-4-yl]-1H-pyridin-2-one
PubChem CID139071472
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name4-[5-(4-fluorophenyl)-3-propan-2-yl-1,2-oxazol-4-yl]-1H-pyridin-2-one
SMILESCC(C)c1noc(-c2ccc(F)cc2)c1-c1cc[nH]c(=O)c1
InChIInChI=1S/C17H15FN2O2/c1-10(2)16-15(12-7-8-19-14(21)9-12)17(22-20-16)11-3-5-13(18)6-4-11/h3-10H,1-2H3,(H,19,21)
InChIKeyOGTRHHSRYUZDRB-UHFFFAOYSA-N
XLogP3.96
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-3-propan-2-yl-1,2-oxazol-4-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-propan-2-yl-1,2-oxazol-4-yl]-1H-pyridin-2-one (CID 139071472) is 4-[5-(4-fluorophenyl)-3-propan-2-yl-1,2-oxazol-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-propan-2-yl-1,2-oxazol-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-propan-2-yl-1,2-oxazol-4-yl]-1H-pyridin-2-one is CC(C)c1noc(-c2ccc(F)cc2)c1-c1cc[nH]c(=O)c1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-propan-2-yl-1,2-oxazol-4-yl]-1H-pyridin-2-one?
The InChIKey is OGTRHHSRYUZDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-10(2)16-15(12-7-8-19-14(21)9-12)17(22-20-16)11-3-5-13(18)6-4-11/h3-10H,1-2H3,(H,19,21).
What are the key properties of 4-[5-(4-fluorophenyl)-3-propan-2-yl-1,2-oxazol-4-yl]-1H-pyridin-2-one?
4-[5-(4-fluorophenyl)-3-propan-2-yl-1,2-oxazol-4-yl]-1H-pyridin-2-one has a molecular weight of 298.32 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-3-propan-2-yl-1,2-oxazol-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 139071472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).