5-hydroxy-2-propan-2-yl-1,3-benzoxazole-7-carboxylic acid

C11H11NO4 — CID 84686461

IUPAC5-hydroxy-2-propan-2-yl-1,3-benzoxazole-7-carboxylic acid
SMILESCC(C)c1nc2cc(O)cc(C(=O)O)c2o1
InChIInChI=1S/C11H11NO4/c1-5(2)10-12-8-4-6(13)3-7(11(14)15)9(8)16-10/h3-5,13H,1-2H3,(H,14,15)
InChIKeyRQJWXFSHUUTIQR-UHFFFAOYSA-N
MW221.21 g/mol
LogP2.36
Rot. Bonds2

About 5-hydroxy-2-propan-2-yl-1,3-benzoxazole-7-carboxylic acid

5-hydroxy-2-propan-2-yl-1,3-benzoxazole-7-carboxylic acid (PubChem CID 84686461) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 5-hydroxy-2-propan-2-yl-1,3-benzoxazole-7-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-2-propan-2-yl-1,3-benzoxazole-7-carboxylic acid
PubChem CID84686461
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name5-hydroxy-2-propan-2-yl-1,3-benzoxazole-7-carboxylic acid
SMILESCC(C)c1nc2cc(O)cc(C(=O)O)c2o1
InChIInChI=1S/C11H11NO4/c1-5(2)10-12-8-4-6(13)3-7(11(14)15)9(8)16-10/h3-5,13H,1-2H3,(H,14,15)
InChIKeyRQJWXFSHUUTIQR-UHFFFAOYSA-N
XLogP2.36
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-hydroxy-2-propan-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

1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanone
CID 82230213
2,5-dimethyl-1,3-benzoxazole-7-carboxylic acid
CID 69088021
2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine-6-carboxylic acid
CID 83819985
6,7-dimethyl-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 82230256
2-tert-butyl-5-methyl-1,3-benzoxazole-7-carboxylic acid
CID 84696633
5-bromo-2-propan-2-yl-1,3-benzoxazole-7-carbaldehyde
CID 83902756
4-hydroxy-2-propan-2-yl-1,3-benzoxazole-6-carboxylic acid
CID 105477004
7-bromo-5-chloro-2-propan-2-yl-1,3-benzoxazole
CID 82095523
[7-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazol-5-yl]methanol
CID 166557542
5-methyl-2-propan-2-ylbenzo[g][1,3]benzoxazole
CID 144879686
2-methyl-1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-1-one
CID 82289176
7-tert-butyl-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 82231467

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-propan-2-yl-1,3-benzoxazole-7-carboxylic acid?
The IUPAC name of 5-hydroxy-2-propan-2-yl-1,3-benzoxazole-7-carboxylic acid (CID 84686461) is 5-hydroxy-2-propan-2-yl-1,3-benzoxazole-7-carboxylic acid.
What is the SMILES notation for 5-hydroxy-2-propan-2-yl-1,3-benzoxazole-7-carboxylic acid?
The canonical SMILES for 5-hydroxy-2-propan-2-yl-1,3-benzoxazole-7-carboxylic acid is CC(C)c1nc2cc(O)cc(C(=O)O)c2o1.
What is the InChIKey of 5-hydroxy-2-propan-2-yl-1,3-benzoxazole-7-carboxylic acid?
The InChIKey is RQJWXFSHUUTIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-5(2)10-12-8-4-6(13)3-7(11(14)15)9(8)16-10/h3-5,13H,1-2H3,(H,14,15).
What are the key properties of 5-hydroxy-2-propan-2-yl-1,3-benzoxazole-7-carboxylic acid?
5-hydroxy-2-propan-2-yl-1,3-benzoxazole-7-carboxylic acid has a molecular weight of 221.21 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-propan-2-yl-1,3-benzoxazole-7-carboxylic acid is sourced from PubChem (CID 84686461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).