2-(2-chloro-1,3-benzoxazol-7-yl)-2-hydroxyacetic acid

C9H6ClNO4 — CID 131605647

IUPAC2-(2-chloro-1,3-benzoxazol-7-yl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cccc2nc(Cl)oc12
InChIInChI=1S/C9H6ClNO4/c10-9-11-5-3-1-2-4(7(5)15-9)6(12)8(13)14/h1-3,6,12H,(H,13,14)
InChIKeyDKEUWFHTNIKVCF-UHFFFAOYSA-N
MW227.60 g/mol
LogP1.60
Rot. Bonds2

About 2-(2-chloro-1,3-benzoxazol-7-yl)-2-hydroxyacetic acid

2-(2-chloro-1,3-benzoxazol-7-yl)-2-hydroxyacetic acid (PubChem CID 131605647) has the molecular formula C9H6ClNO4 and a molecular weight of 227.60 g/mol. Its IUPAC name is 2-(2-chloro-1,3-benzoxazol-7-yl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(2-chloro-1,3-benzoxazol-7-yl)-2-hydroxyacetic acid
PubChem CID131605647
Molecular FormulaC9H6ClNO4
Molecular Weight227.60 g/mol
Exact Mass227.00
IUPAC Name2-(2-chloro-1,3-benzoxazol-7-yl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cccc2nc(Cl)oc12
InChIInChI=1S/C9H6ClNO4/c10-9-11-5-3-1-2-4(7(5)15-9)6(12)8(13)14/h1-3,6,12H,(H,13,14)
InChIKeyDKEUWFHTNIKVCF-UHFFFAOYSA-N
XLogP1.60
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.60
LogP ≤ 51.60
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-4-yl)-2-hydroxyacetic acid
CID 118801595
2-chloro-1,3-benzoxazol-7-ol
CID 18967117
2-(1,2-benzoxazol-7-yl)-2-hydroxyacetic acid
CID 117283354
2-(3-bromo-1-benzofuran-7-yl)-2-hydroxyacetic acid
CID 117430171
2-hydroxy-2-(2-oxo-3H-1,3-benzoxazol-7-yl)acetic acid
CID 131403905
2-(2-chlorophenyl)-2-hydroxyacetic acid;copper
CID 174872808
2-(7-ethoxycarbonyl-1,3-benzoxazol-2-yl)-2-hydroxyacetic acid
CID 118814574
2-[2-(difluoromethyl)-1,3-benzoxazol-4-yl]-2-hydroxyacetic acid
CID 118852427
2-(2-chloro-3-propanoylphenyl)-2-hydroxyacetic acid
CID 118991203
2-[2-(carboxymethyl)-1,3-benzoxazol-4-yl]-2-hydroxyacetic acid
CID 118818652
2-(4-chlorophenyl)-1,3-benzoxazole-7-carboxylic acid
CID 59625768

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-1,3-benzoxazol-7-yl)-2-hydroxyacetic acid?
The IUPAC name of 2-(2-chloro-1,3-benzoxazol-7-yl)-2-hydroxyacetic acid (CID 131605647) is 2-(2-chloro-1,3-benzoxazol-7-yl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(2-chloro-1,3-benzoxazol-7-yl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(2-chloro-1,3-benzoxazol-7-yl)-2-hydroxyacetic acid is O=C(O)C(O)c1cccc2nc(Cl)oc12.
What is the InChIKey of 2-(2-chloro-1,3-benzoxazol-7-yl)-2-hydroxyacetic acid?
The InChIKey is DKEUWFHTNIKVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO4/c10-9-11-5-3-1-2-4(7(5)15-9)6(12)8(13)14/h1-3,6,12H,(H,13,14).
What are the key properties of 2-(2-chloro-1,3-benzoxazol-7-yl)-2-hydroxyacetic acid?
2-(2-chloro-1,3-benzoxazol-7-yl)-2-hydroxyacetic acid has a molecular weight of 227.60 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-1,3-benzoxazol-7-yl)-2-hydroxyacetic acid is sourced from PubChem (CID 131605647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).