2-(2-methyl-1,3-benzoxazol-5-yl)acetic acid

C10H9NO3 — CID 1478196

IUPAC2-(2-methyl-1,3-benzoxazol-5-yl)acetic acid
SMILESCc1nc2cc(CC(=O)O)ccc2o1
InChIInChI=1S/C10H9NO3/c1-6-11-8-4-7(5-10(12)13)2-3-9(8)14-6/h2-4H,5H2,1H3,(H,12,13)
InChIKeyXZTMGHNOIGLWHW-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.76
Rot. Bonds2

About 2-(2-methyl-1,3-benzoxazol-5-yl)acetic acid

2-(2-methyl-1,3-benzoxazol-5-yl)acetic acid (PubChem CID 1478196) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-(2-methyl-1,3-benzoxazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methyl-1,3-benzoxazol-5-yl)acetic acid
PubChem CID1478196
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name2-(2-methyl-1,3-benzoxazol-5-yl)acetic acid
SMILESCc1nc2cc(CC(=O)O)ccc2o1
InChIInChI=1S/C10H9NO3/c1-6-11-8-4-7(5-10(12)13)2-3-9(8)14-6/h2-4H,5H2,1H3,(H,12,13)
InChIKeyXZTMGHNOIGLWHW-UHFFFAOYSA-N
XLogP1.76
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methyl-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide
CID 110773772
methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]carbamic acid
CID 115171032
2,2-difluoro-3-(2-methyl-1,3-benzoxazol-5-yl)propanoic acid
CID 116838289
3-[methyl-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]amino]propanoic acid
CID 112519384
2-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-methylbutyl)acetamide
CID 110773848
2-(2-methyl-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 110773812
2-(2-methyl-1,3-benzoxazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 110773791
4-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]butanoic acid
CID 115218677
N-(3-acetamidophenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 110773893
3-methyl-4-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]butanoic acid
CID 115219951
carbon dioxide;5-ethyl-2-methyl-1,3-benzoxazole
CID 162219580
3-[(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetane-3-carboxylic acid
CID 116930146

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-benzoxazol-5-yl)acetic acid?
The IUPAC name of 2-(2-methyl-1,3-benzoxazol-5-yl)acetic acid (CID 1478196) is 2-(2-methyl-1,3-benzoxazol-5-yl)acetic acid.
What is the SMILES notation for 2-(2-methyl-1,3-benzoxazol-5-yl)acetic acid?
The canonical SMILES for 2-(2-methyl-1,3-benzoxazol-5-yl)acetic acid is Cc1nc2cc(CC(=O)O)ccc2o1.
What is the InChIKey of 2-(2-methyl-1,3-benzoxazol-5-yl)acetic acid?
The InChIKey is XZTMGHNOIGLWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-6-11-8-4-7(5-10(12)13)2-3-9(8)14-6/h2-4H,5H2,1H3,(H,12,13).
What are the key properties of 2-(2-methyl-1,3-benzoxazol-5-yl)acetic acid?
2-(2-methyl-1,3-benzoxazol-5-yl)acetic acid has a molecular weight of 191.19 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-benzoxazol-5-yl)acetic acid is sourced from PubChem (CID 1478196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).