2-(1-hydroxyethyl)-1,3-benzoxazole-5-carboxylic acid

C10H9NO4 — CID 81358691

IUPAC2-(1-hydroxyethyl)-1,3-benzoxazole-5-carboxylic acid
SMILESCC(O)c1nc2cc(C(=O)O)ccc2o1
InChIInChI=1S/C10H9NO4/c1-5(12)9-11-7-4-6(10(13)14)2-3-8(7)15-9/h2-5,12H,1H3,(H,13,14)
InChIKeyPSAWCBIBBHQGOA-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.58
Rot. Bonds2

About 2-(1-hydroxyethyl)-1,3-benzoxazole-5-carboxylic acid

2-(1-hydroxyethyl)-1,3-benzoxazole-5-carboxylic acid (PubChem CID 81358691) has the molecular formula C10H9NO4 and a molecular weight of 207.19 g/mol. Its IUPAC name is 2-(1-hydroxyethyl)-1,3-benzoxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-hydroxyethyl)-1,3-benzoxazole-5-carboxylic acid
PubChem CID81358691
Molecular FormulaC10H9NO4
Molecular Weight207.19 g/mol
Exact Mass207.05
IUPAC Name2-(1-hydroxyethyl)-1,3-benzoxazole-5-carboxylic acid
SMILESCC(O)c1nc2cc(C(=O)O)ccc2o1
InChIInChI=1S/C10H9NO4/c1-5(12)9-11-7-4-6(10(13)14)2-3-8(7)15-9/h2-5,12H,1H3,(H,13,14)
InChIKeyPSAWCBIBBHQGOA-UHFFFAOYSA-N
XLogP1.58
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyethyl)-1,3-benzoxazole-5-carboxylic acid?
The IUPAC name of 2-(1-hydroxyethyl)-1,3-benzoxazole-5-carboxylic acid (CID 81358691) is 2-(1-hydroxyethyl)-1,3-benzoxazole-5-carboxylic acid.
What is the SMILES notation for 2-(1-hydroxyethyl)-1,3-benzoxazole-5-carboxylic acid?
The canonical SMILES for 2-(1-hydroxyethyl)-1,3-benzoxazole-5-carboxylic acid is CC(O)c1nc2cc(C(=O)O)ccc2o1.
What is the InChIKey of 2-(1-hydroxyethyl)-1,3-benzoxazole-5-carboxylic acid?
The InChIKey is PSAWCBIBBHQGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4/c1-5(12)9-11-7-4-6(10(13)14)2-3-8(7)15-9/h2-5,12H,1H3,(H,13,14).
What are the key properties of 2-(1-hydroxyethyl)-1,3-benzoxazole-5-carboxylic acid?
2-(1-hydroxyethyl)-1,3-benzoxazole-5-carboxylic acid has a molecular weight of 207.19 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethyl)-1,3-benzoxazole-5-carboxylic acid is sourced from PubChem (CID 81358691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).