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

C9H6ClNO3 — CID 105465494

IUPAC2-(7-chloro-2,1-benzoxazol-3-yl)acetic acid
SMILESO=C(O)Cc1onc2c(Cl)cccc12
InChIInChI=1S/C9H6ClNO3/c10-6-3-1-2-5-7(4-8(12)13)14-11-9(5)6/h1-3H,4H2,(H,12,13)
InChIKeyUJSBPXDIPYBXAA-UHFFFAOYSA-N
MW211.60 g/mol
LogP2.11
Rot. Bonds2

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

2-(7-chloro-2,1-benzoxazol-3-yl)acetic acid (PubChem CID 105465494) has the molecular formula C9H6ClNO3 and a molecular weight of 211.60 g/mol. Its IUPAC name is 2-(7-chloro-2,1-benzoxazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(7-chloro-2,1-benzoxazol-3-yl)acetic acid
PubChem CID105465494
Molecular FormulaC9H6ClNO3
Molecular Weight211.60 g/mol
Exact Mass211.00
IUPAC Name2-(7-chloro-2,1-benzoxazol-3-yl)acetic acid
SMILESO=C(O)Cc1onc2c(Cl)cccc12
InChIInChI=1S/C9H6ClNO3/c10-6-3-1-2-5-7(4-8(12)13)14-11-9(5)6/h1-3H,4H2,(H,12,13)
InChIKeyUJSBPXDIPYBXAA-UHFFFAOYSA-N
XLogP2.11
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.60
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-chloroquinazolin-4-yl)acetic acid
CID 105479928
1-(7-chloro-2,1-benzoxazol-3-yl)-N-methylpropan-2-amine
CID 105482606
ethyl 7-chloro-2,1-benzoxazole-3-carboxylate
CID 169494989
3-(7-methyl-2,1-benzoxazol-3-yl)propanoic acid
CID 105457150
2-[4-(2-chlorophenyl)-1,2-oxazol-5-yl]acetic acid
CID 105423586
3-(7-methoxy-2,1-benzoxazol-3-yl)propanoic acid
CID 105477082
2-(8-chloro-2-methylquinolin-3-yl)acetic acid
CID 164563362
2-(5-methyl-2,1-benzoxazol-3-yl)acetic acid
CID 105444721
2-(4-chloro-1,3-benzothiazol-2-yl)acetic acid
CID 71743774
2-(4-chloro-3-methyl-1,2-oxazol-5-yl)acetic acid
CID 21451296
2-(4-chloro-8-fluoroquinazolin-2-yl)acetic acid
CID 84800593
sodium;2-(2-chlorophenyl)acetic acid;hydride
CID 174699179

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-2,1-benzoxazol-3-yl)acetic acid?
The IUPAC name of 2-(7-chloro-2,1-benzoxazol-3-yl)acetic acid (CID 105465494) is 2-(7-chloro-2,1-benzoxazol-3-yl)acetic acid.
What is the SMILES notation for 2-(7-chloro-2,1-benzoxazol-3-yl)acetic acid?
The canonical SMILES for 2-(7-chloro-2,1-benzoxazol-3-yl)acetic acid is O=C(O)Cc1onc2c(Cl)cccc12.
What is the InChIKey of 2-(7-chloro-2,1-benzoxazol-3-yl)acetic acid?
The InChIKey is UJSBPXDIPYBXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO3/c10-6-3-1-2-5-7(4-8(12)13)14-11-9(5)6/h1-3H,4H2,(H,12,13).
What are the key properties of 2-(7-chloro-2,1-benzoxazol-3-yl)acetic acid?
2-(7-chloro-2,1-benzoxazol-3-yl)acetic acid has a molecular weight of 211.60 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-2,1-benzoxazol-3-yl)acetic acid is sourced from PubChem (CID 105465494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).