5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[3-fluoro-4-(oxiran-2-yl)phenyl]methyl]pyridin-2-one

C19H17FN2O3 — CID 121414853

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[3-fluoro-4-(oxiran-2-yl)phenyl]methyl]pyridin-2-one
SMILESCc1noc(C)c1-c1ccc(=O)n(Cc2ccc(C3CO3)c(F)c2)c1
InChIInChI=1S/C19H17FN2O3/c1-11-19(12(2)25-21-11)14-4-6-18(23)22(9-14)8-13-3-5-15(16(20)7-13)17-10-24-17/h3-7,9,17H,8,10H2,1-2H3
InChIKeyVQHDSZCBMWYGEK-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.38
Rot. Bonds4

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[3-fluoro-4-(oxiran-2-yl)phenyl]methyl]pyridin-2-one

5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[3-fluoro-4-(oxiran-2-yl)phenyl]methyl]pyridin-2-one (PubChem CID 121414853) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[3-fluoro-4-(oxiran-2-yl)phenyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[3-fluoro-4-(oxiran-2-yl)phenyl]methyl]pyridin-2-one
PubChem CID121414853
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[3-fluoro-4-(oxiran-2-yl)phenyl]methyl]pyridin-2-one
SMILESCc1noc(C)c1-c1ccc(=O)n(Cc2ccc(C3CO3)c(F)c2)c1
InChIInChI=1S/C19H17FN2O3/c1-11-19(12(2)25-21-11)14-4-6-18(23)22(9-14)8-13-3-5-15(16(20)7-13)17-10-24-17/h3-7,9,17H,8,10H2,1-2H3
InChIKeyVQHDSZCBMWYGEK-UHFFFAOYSA-N
XLogP3.38
TPSA60.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[3-fluoro-4-(oxiran-2-yl)phenyl]methyl]pyridin-2-one?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[3-fluoro-4-(oxiran-2-yl)phenyl]methyl]pyridin-2-one (CID 121414853) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[3-fluoro-4-(oxiran-2-yl)phenyl]methyl]pyridin-2-one.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[3-fluoro-4-(oxiran-2-yl)phenyl]methyl]pyridin-2-one?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[3-fluoro-4-(oxiran-2-yl)phenyl]methyl]pyridin-2-one is Cc1noc(C)c1-c1ccc(=O)n(Cc2ccc(C3CO3)c(F)c2)c1.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[3-fluoro-4-(oxiran-2-yl)phenyl]methyl]pyridin-2-one?
The InChIKey is VQHDSZCBMWYGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-11-19(12(2)25-21-11)14-4-6-18(23)22(9-14)8-13-3-5-15(16(20)7-13)17-10-24-17/h3-7,9,17H,8,10H2,1-2H3.
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[3-fluoro-4-(oxiran-2-yl)phenyl]methyl]pyridin-2-one?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[3-fluoro-4-(oxiran-2-yl)phenyl]methyl]pyridin-2-one has a molecular weight of 340.35 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[3-fluoro-4-(oxiran-2-yl)phenyl]methyl]pyridin-2-one is sourced from PubChem (CID 121414853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).