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

C10H9NO3 — CID 850787

IUPAC2-(5-methyl-1,2-benzoxazol-3-yl)acetic acid
SMILESCc1ccc2onc(CC(=O)O)c2c1
InChIInChI=1S/C10H9NO3/c1-6-2-3-9-7(4-6)8(11-14-9)5-10(12)13/h2-4H,5H2,1H3,(H,12,13)
InChIKeyDWBGJXYUEQQNNC-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.76
Rot. Bonds2

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

2-(5-methyl-1,2-benzoxazol-3-yl)acetic acid (PubChem CID 850787) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-(5-methyl-1,2-benzoxazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methyl-1,2-benzoxazol-3-yl)acetic acid
PubChem CID850787
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name2-(5-methyl-1,2-benzoxazol-3-yl)acetic acid
SMILESCc1ccc2onc(CC(=O)O)c2c1
InChIInChI=1S/C10H9NO3/c1-6-2-3-9-7(4-6)8(11-14-9)5-10(12)13/h2-4H,5H2,1H3,(H,12,13)
InChIKeyDWBGJXYUEQQNNC-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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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2-benzoxazol-3-yl)acetic acid?
The IUPAC name of 2-(5-methyl-1,2-benzoxazol-3-yl)acetic acid (CID 850787) is 2-(5-methyl-1,2-benzoxazol-3-yl)acetic acid.
What is the SMILES notation for 2-(5-methyl-1,2-benzoxazol-3-yl)acetic acid?
The canonical SMILES for 2-(5-methyl-1,2-benzoxazol-3-yl)acetic acid is Cc1ccc2onc(CC(=O)O)c2c1.
What is the InChIKey of 2-(5-methyl-1,2-benzoxazol-3-yl)acetic acid?
The InChIKey is DWBGJXYUEQQNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-6-2-3-9-7(4-6)8(11-14-9)5-10(12)13/h2-4H,5H2,1H3,(H,12,13).
What are the key properties of 2-(5-methyl-1,2-benzoxazol-3-yl)acetic acid?
2-(5-methyl-1,2-benzoxazol-3-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-(5-methyl-1,2-benzoxazol-3-yl)acetic acid is sourced from PubChem (CID 850787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).