6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxylic acid

C13H11FN2O3 — CID 138663430

IUPAC6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxylic acid
SMILESO=C(O)c1cn2c(n1)COC(c1ccc(F)cc1)C2
InChIInChI=1S/C13H11FN2O3/c14-9-3-1-8(2-4-9)11-6-16-5-10(13(17)18)15-12(16)7-19-11/h1-5,11H,6-7H2,(H,17,18)
InChIKeyNSVMXHXZFPZYKS-UHFFFAOYSA-N
MW262.24 g/mol
LogP1.99
Rot. Bonds2

About 6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxylic acid

6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxylic acid (PubChem CID 138663430) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxylic acid
PubChem CID138663430
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Name6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxylic acid
SMILESO=C(O)c1cn2c(n1)COC(c1ccc(F)cc1)C2
InChIInChI=1S/C13H11FN2O3/c14-9-3-1-8(2-4-9)11-6-16-5-10(13(17)18)15-12(16)7-19-11/h1-5,11H,6-7H2,(H,17,18)
InChIKeyNSVMXHXZFPZYKS-UHFFFAOYSA-N
XLogP1.99
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-thiophen-3-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxylic acid
CID 121204840
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide
CID 138634296
(6S)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxylic acid
CID 125127044
[2-(4-fluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
CID 60958921
6-[3-(4-fluorophenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122057093
[1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 125128090
(6R)-N-[(4-fluorophenyl)methyl]-6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93009766
3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid
CID 62231452
[1-[(6R)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 125128663
ethyl 6-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate
CID 138646151
[2-(4-fluorophenyl)morpholin-4-yl]-(2-phenyltriazol-4-yl)methanone
CID 134044299
[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(1-phenyltriazol-4-yl)methanone
CID 95714622

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxylic acid?
The IUPAC name of 6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxylic acid (CID 138663430) is 6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxylic acid.
What is the SMILES notation for 6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxylic acid?
The canonical SMILES for 6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxylic acid is O=C(O)c1cn2c(n1)COC(c1ccc(F)cc1)C2.
What is the InChIKey of 6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxylic acid?
The InChIKey is NSVMXHXZFPZYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c14-9-3-1-8(2-4-9)11-6-16-5-10(13(17)18)15-12(16)7-19-11/h1-5,11H,6-7H2,(H,17,18).
What are the key properties of 6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxylic acid?
6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxylic acid has a molecular weight of 262.24 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxylic acid is sourced from PubChem (CID 138663430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).