2-(5-methyloxolan-2-yl)-1,3-benzoxazole-7-carboxylic acid

C13H13NO4 — CID 81346576

IUPAC2-(5-methyloxolan-2-yl)-1,3-benzoxazole-7-carboxylic acid
SMILESCC1CCC(c2nc3cccc(C(=O)O)c3o2)O1
InChIInChI=1S/C13H13NO4/c1-7-5-6-10(17-7)12-14-9-4-2-3-8(13(15)16)11(9)18-12/h2-4,7,10H,5-6H2,1H3,(H,15,16)
InChIKeyPTHDUTKBCRUXJZ-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.77
Rot. Bonds2

About 2-(5-methyloxolan-2-yl)-1,3-benzoxazole-7-carboxylic acid

2-(5-methyloxolan-2-yl)-1,3-benzoxazole-7-carboxylic acid (PubChem CID 81346576) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-(5-methyloxolan-2-yl)-1,3-benzoxazole-7-carboxylic acid.

Molecular Properties

Compound Name2-(5-methyloxolan-2-yl)-1,3-benzoxazole-7-carboxylic acid
PubChem CID81346576
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name2-(5-methyloxolan-2-yl)-1,3-benzoxazole-7-carboxylic acid
SMILESCC1CCC(c2nc3cccc(C(=O)O)c3o2)O1
InChIInChI=1S/C13H13NO4/c1-7-5-6-10(17-7)12-14-9-4-2-3-8(13(15)16)11(9)18-12/h2-4,7,10H,5-6H2,1H3,(H,15,16)
InChIKeyPTHDUTKBCRUXJZ-UHFFFAOYSA-N
XLogP2.77
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-methyloxolan-2-yl)-1,3-benzoxazole-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methylcyclopropyl)-1,3-benzoxazole-7-carboxylic acid
CID 81346356
2-(2,3-dihydro-1-benzofuran-2-yl)-1,3-benzoxazole-7-carboxylic acid
CID 81333660
1-(2-cyclopentyl-1,3-benzoxazol-7-yl)ethanone
CID 82231282
2-methylsulfanyl-1,3-benzoxazole-7-carboxylic acid
CID 118809335
2-(cyclobutylmethyl)-1,3-benzoxazole-7-carboxylic acid
CID 103167556
2-(7-carbamoyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxylic acid
CID 91442299
2-cyano-1,3-benzoxazole-7-carboxylic acid
CID 131011125
2-(5-methyloxolan-2-yl)-1,3-benzoxazol-6-amine
CID 81330048
2-(2,4,5-trimethylfuran-3-yl)-1,3-benzoxazole-7-carboxylic acid
CID 81345647
3-(7-methyl-1,3-benzoxazol-2-yl)cyclopentane-1-carboxylic acid
CID 103551979
2-(2-methyl-1,3-benzoxazol-7-yl)-2-oxoacetic acid
CID 117293084
2-(2-fluoro-3-methylphenyl)-1,3-benzoxazole-7-carboxylic acid
CID 81479408

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyloxolan-2-yl)-1,3-benzoxazole-7-carboxylic acid?
The IUPAC name of 2-(5-methyloxolan-2-yl)-1,3-benzoxazole-7-carboxylic acid (CID 81346576) is 2-(5-methyloxolan-2-yl)-1,3-benzoxazole-7-carboxylic acid.
What is the SMILES notation for 2-(5-methyloxolan-2-yl)-1,3-benzoxazole-7-carboxylic acid?
The canonical SMILES for 2-(5-methyloxolan-2-yl)-1,3-benzoxazole-7-carboxylic acid is CC1CCC(c2nc3cccc(C(=O)O)c3o2)O1.
What is the InChIKey of 2-(5-methyloxolan-2-yl)-1,3-benzoxazole-7-carboxylic acid?
The InChIKey is PTHDUTKBCRUXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-7-5-6-10(17-7)12-14-9-4-2-3-8(13(15)16)11(9)18-12/h2-4,7,10H,5-6H2,1H3,(H,15,16).
What are the key properties of 2-(5-methyloxolan-2-yl)-1,3-benzoxazole-7-carboxylic acid?
2-(5-methyloxolan-2-yl)-1,3-benzoxazole-7-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyloxolan-2-yl)-1,3-benzoxazole-7-carboxylic acid is sourced from PubChem (CID 81346576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).