2-[6-[1-(4-fluoro-2-methylphenyl)but-1-enyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetamide

C19H18FN3O3 — CID 123583242

IUPAC2-[6-[1-(4-fluoro-2-methylphenyl)but-1-enyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetamide
SMILESCCC=C(c1cnc2c(c1)oc(=O)n2CC(N)=O)c1ccc(F)cc1C
InChIInChI=1S/C19H18FN3O3/c1-3-4-15(14-6-5-13(20)7-11(14)2)12-8-16-18(22-9-12)23(10-17(21)24)19(25)26-16/h4-9H,3,10H2,1-2H3,(H2,21,24)
InChIKeyCVMMOZLFDOUVTC-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.76
Rot. Bonds5

About 2-[6-[1-(4-fluoro-2-methylphenyl)but-1-enyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetamide

2-[6-[1-(4-fluoro-2-methylphenyl)but-1-enyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetamide (PubChem CID 123583242) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is 2-[6-[1-(4-fluoro-2-methylphenyl)but-1-enyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetamide.

Molecular Properties

Compound Name2-[6-[1-(4-fluoro-2-methylphenyl)but-1-enyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetamide
PubChem CID123583242
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name2-[6-[1-(4-fluoro-2-methylphenyl)but-1-enyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetamide
SMILESCCC=C(c1cnc2c(c1)oc(=O)n2CC(N)=O)c1ccc(F)cc1C
InChIInChI=1S/C19H18FN3O3/c1-3-4-15(14-6-5-13(20)7-11(14)2)12-8-16-18(22-9-12)23(10-17(21)24)19(25)26-16/h4-9H,3,10H2,1-2H3,(H2,21,24)
InChIKeyCVMMOZLFDOUVTC-UHFFFAOYSA-N
XLogP2.76
TPSA91.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[1-(4-fluoro-2-methylphenyl)but-1-enyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetamide?
The IUPAC name of 2-[6-[1-(4-fluoro-2-methylphenyl)but-1-enyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetamide (CID 123583242) is 2-[6-[1-(4-fluoro-2-methylphenyl)but-1-enyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetamide.
What is the SMILES notation for 2-[6-[1-(4-fluoro-2-methylphenyl)but-1-enyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetamide?
The canonical SMILES for 2-[6-[1-(4-fluoro-2-methylphenyl)but-1-enyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetamide is CCC=C(c1cnc2c(c1)oc(=O)n2CC(N)=O)c1ccc(F)cc1C.
What is the InChIKey of 2-[6-[1-(4-fluoro-2-methylphenyl)but-1-enyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetamide?
The InChIKey is CVMMOZLFDOUVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-3-4-15(14-6-5-13(20)7-11(14)2)12-8-16-18(22-9-12)23(10-17(21)24)19(25)26-16/h4-9H,3,10H2,1-2H3,(H2,21,24).
What are the key properties of 2-[6-[1-(4-fluoro-2-methylphenyl)but-1-enyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetamide?
2-[6-[1-(4-fluoro-2-methylphenyl)but-1-enyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetamide has a molecular weight of 355.37 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[1-(4-fluoro-2-methylphenyl)but-1-enyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetamide is sourced from PubChem (CID 123583242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).