2-[(6-fluoro-1,3-benzoxazol-2-yl)methoxy]acetic acid

C10H8FNO4 — CID 63675428

IUPAC2-[(6-fluoro-1,3-benzoxazol-2-yl)methoxy]acetic acid
SMILESO=C(O)COCc1nc2ccc(F)cc2o1
InChIInChI=1S/C10H8FNO4/c11-6-1-2-7-8(3-6)16-9(12-7)4-15-5-10(13)14/h1-3H,4-5H2,(H,13,14)
InChIKeyZNSVOURGWAHREK-UHFFFAOYSA-N
MW225.17 g/mol
LogP1.57
Rot. Bonds4

About 2-[(6-fluoro-1,3-benzoxazol-2-yl)methoxy]acetic acid

2-[(6-fluoro-1,3-benzoxazol-2-yl)methoxy]acetic acid (PubChem CID 63675428) has the molecular formula C10H8FNO4 and a molecular weight of 225.17 g/mol. Its IUPAC name is 2-[(6-fluoro-1,3-benzoxazol-2-yl)methoxy]acetic acid.

Molecular Properties

Compound Name2-[(6-fluoro-1,3-benzoxazol-2-yl)methoxy]acetic acid
PubChem CID63675428
Molecular FormulaC10H8FNO4
Molecular Weight225.17 g/mol
Exact Mass225.04
IUPAC Name2-[(6-fluoro-1,3-benzoxazol-2-yl)methoxy]acetic acid
SMILESO=C(O)COCc1nc2ccc(F)cc2o1
InChIInChI=1S/C10H8FNO4/c11-6-1-2-7-8(3-6)16-9(12-7)4-15-5-10(13)14/h1-3H,4-5H2,(H,13,14)
InChIKeyZNSVOURGWAHREK-UHFFFAOYSA-N
XLogP1.57
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-fluoro-1,3-benzoxazol-2-yl)-2,2-dimethylpropanoic acid
CID 83870285
1-(6-fluoro-1,3-benzoxazol-2-yl)butan-2-one
CID 112710878
6-fluoro-2-(piperidin-4-yloxymethyl)-1,3-benzoxazole
CID 63870572
(6-fluoro-1,3-benzoxazol-2-yl)methyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate
CID 75516846
2-[(6-fluoro-1-methylbenzimidazol-2-yl)methoxy]acetic acid
CID 62376035
2-[[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 81105481
2-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
CID 79720214
2-[(2-chloro-5-fluorophenyl)methoxy]acetic acid
CID 102615107
2-[(2-methylpropan-2-yl)oxymethyl]-1,3-benzoxazole-6-carboxylic acid
CID 112605925
2-(6-sulfanyl-1,3-benzoxazol-2-yl)acetic acid
CID 131073240
2-[(3-cyano-5-fluoro-2-pyridinyl)oxymethyl]-1,3-benzoxazole-6-carboxylic acid
CID 177195196
(6-fluoro-1,3-benzoxazol-2-yl)methyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate
CID 75434252

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-1,3-benzoxazol-2-yl)methoxy]acetic acid?
The IUPAC name of 2-[(6-fluoro-1,3-benzoxazol-2-yl)methoxy]acetic acid (CID 63675428) is 2-[(6-fluoro-1,3-benzoxazol-2-yl)methoxy]acetic acid.
What is the SMILES notation for 2-[(6-fluoro-1,3-benzoxazol-2-yl)methoxy]acetic acid?
The canonical SMILES for 2-[(6-fluoro-1,3-benzoxazol-2-yl)methoxy]acetic acid is O=C(O)COCc1nc2ccc(F)cc2o1.
What is the InChIKey of 2-[(6-fluoro-1,3-benzoxazol-2-yl)methoxy]acetic acid?
The InChIKey is ZNSVOURGWAHREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO4/c11-6-1-2-7-8(3-6)16-9(12-7)4-15-5-10(13)14/h1-3H,4-5H2,(H,13,14).
What are the key properties of 2-[(6-fluoro-1,3-benzoxazol-2-yl)methoxy]acetic acid?
2-[(6-fluoro-1,3-benzoxazol-2-yl)methoxy]acetic acid has a molecular weight of 225.17 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-1,3-benzoxazol-2-yl)methoxy]acetic acid is sourced from PubChem (CID 63675428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).