2-(1,2-benzoxazol-7-yl)-2-hydroxyacetic acid

C9H7NO4 — CID 117283354

IUPAC2-(1,2-benzoxazol-7-yl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cccc2cnoc12
InChIInChI=1S/C9H7NO4/c11-7(9(12)13)6-3-1-2-5-4-10-14-8(5)6/h1-4,7,11H,(H,12,13)
InChIKeyZWGUHYSPNXIOCH-UHFFFAOYSA-N
MW193.16 g/mol
LogP0.95
Rot. Bonds2

About 2-(1,2-benzoxazol-7-yl)-2-hydroxyacetic acid

2-(1,2-benzoxazol-7-yl)-2-hydroxyacetic acid (PubChem CID 117283354) has the molecular formula C9H7NO4 and a molecular weight of 193.16 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-7-yl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(1,2-benzoxazol-7-yl)-2-hydroxyacetic acid
PubChem CID117283354
Molecular FormulaC9H7NO4
Molecular Weight193.16 g/mol
Exact Mass193.04
IUPAC Name2-(1,2-benzoxazol-7-yl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cccc2cnoc12
InChIInChI=1S/C9H7NO4/c11-7(9(12)13)6-3-1-2-5-4-10-14-8(5)6/h1-4,7,11H,(H,12,13)
InChIKeyZWGUHYSPNXIOCH-UHFFFAOYSA-N
XLogP0.95
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-2-(2-iodo-1,3-benzoxazol-7-yl)acetic acid
CID 131560223
2-(2-chloro-1,3-benzoxazol-7-yl)-2-hydroxyacetic acid
CID 131605647
7-fluoro-1,2-benzoxazole
CID 54539975
2-hydroxy-2-(2-oxo-3H-1,3-benzoxazol-7-yl)acetic acid
CID 131403905
2-(3-bromo-1-benzofuran-7-yl)-2-hydroxyacetic acid
CID 117430171
2-hydroxy-2-(1H-indol-7-yl)acetic acid
CID 82403712
2-(2-chloro-1,3-benzoxazol-4-yl)-2-hydroxyacetic acid
CID 118801595
2-[3-(1-chloro-2-oxopropyl)-2-hydroxyphenyl]-2-hydroxyacetic acid
CID 135740852
CID 70117604
CID 70117604
2-[2-(difluoromethyl)-1,3-benzoxazol-4-yl]-2-hydroxyacetic acid
CID 118852427
potassium;hydride;(2R)-2-hydroxy-2-(2-hydroxyphenyl)acetic acid
CID 173256865
(2S)-2-hydroxy-2-(2-iodophenyl)acetic acid
CID 139199353

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-7-yl)-2-hydroxyacetic acid?
The IUPAC name of 2-(1,2-benzoxazol-7-yl)-2-hydroxyacetic acid (CID 117283354) is 2-(1,2-benzoxazol-7-yl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(1,2-benzoxazol-7-yl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(1,2-benzoxazol-7-yl)-2-hydroxyacetic acid is O=C(O)C(O)c1cccc2cnoc12.
What is the InChIKey of 2-(1,2-benzoxazol-7-yl)-2-hydroxyacetic acid?
The InChIKey is ZWGUHYSPNXIOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO4/c11-7(9(12)13)6-3-1-2-5-4-10-14-8(5)6/h1-4,7,11H,(H,12,13).
What are the key properties of 2-(1,2-benzoxazol-7-yl)-2-hydroxyacetic acid?
2-(1,2-benzoxazol-7-yl)-2-hydroxyacetic acid has a molecular weight of 193.16 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-7-yl)-2-hydroxyacetic acid is sourced from PubChem (CID 117283354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).