2-(3-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine-4-carboxylic acid

C11H10FNO3 — CID 24741426

IUPAC2-(3-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine-4-carboxylic acid
SMILESO=C(O)C1CCOC(c2cccc(F)c2)=N1
InChIInChI=1S/C11H10FNO3/c12-8-3-1-2-7(6-8)10-13-9(11(14)15)4-5-16-10/h1-3,6,9H,4-5H2,(H,14,15)
InChIKeyJCVOVNQELCJRKM-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.45
Rot. Bonds2

About 2-(3-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine-4-carboxylic acid

2-(3-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine-4-carboxylic acid (PubChem CID 24741426) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine-4-carboxylic acid
PubChem CID24741426
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Name2-(3-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine-4-carboxylic acid
SMILESO=C(O)C1CCOC(c2cccc(F)c2)=N1
InChIInChI=1S/C11H10FNO3/c12-8-3-1-2-7(6-8)10-13-9(11(14)15)4-5-16-10/h1-3,6,9H,4-5H2,(H,14,15)
InChIKeyJCVOVNQELCJRKM-UHFFFAOYSA-N
XLogP1.45
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-2-phenyl-2-oxazoline-5-one
CID 495826
4-Isopropyl-2-phenyl-2-oxazoline-5-one
CID 339098
benzyl (4S)-2-(3-fluorophenyl)-4,5-dihydrooxazole-4-carboxylate
CID 46201210
(4S)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylic Acid
CID 11218129
2-Phenyl-4,5-dihydro-oxazole-4-carboxylic acid
CID 22220877
(4S,5S)-5-methyl-2-phenyl-4,5-dihydrooxazole-4-carboxylic acid
CID 46889284
(4S)-2-phenyl-4-propan-2-yl-4H-1,3-oxazol-5-one
CID 6992728
2-(4-fluorophenyl)-4-methyl-4H-1,3-oxazol-5-one
CID 46844549
2-(2,4-difluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one
CID 46919167
4-tert-butyl-2-(2,4-difluorophenyl)-4H-1,3-oxazol-5-one
CID 49765726
2-(2,4-difluorophenyl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one
CID 53392109
ethyl 2-(2-fluorophenyl)-5-oxo-4H-1,3-oxazole-4-carboxylate
CID 83547776

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine-4-carboxylic acid?
The IUPAC name of 2-(3-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine-4-carboxylic acid (CID 24741426) is 2-(3-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine-4-carboxylic acid.
What is the SMILES notation for 2-(3-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine-4-carboxylic acid?
The canonical SMILES for 2-(3-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine-4-carboxylic acid is O=C(O)C1CCOC(c2cccc(F)c2)=N1.
What is the InChIKey of 2-(3-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine-4-carboxylic acid?
The InChIKey is JCVOVNQELCJRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3/c12-8-3-1-2-7(6-8)10-13-9(11(14)15)4-5-16-10/h1-3,6,9H,4-5H2,(H,14,15).
What are the key properties of 2-(3-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine-4-carboxylic acid?
2-(3-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine-4-carboxylic acid has a molecular weight of 223.20 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine-4-carboxylic acid is sourced from PubChem (CID 24741426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).