3-(7-hydroxy-1,2-benzoxazol-3-yl)propanoic acid

C10H9NO4 — CID 84674857

IUPAC3-(7-hydroxy-1,2-benzoxazol-3-yl)propanoic acid
SMILESO=C(O)CCc1noc2c(O)cccc12
InChIInChI=1S/C10H9NO4/c12-8-3-1-2-6-7(4-5-9(13)14)11-15-10(6)8/h1-3,12H,4-5H2,(H,13,14)
InChIKeyMDAPOILZSRPACB-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.55
Rot. Bonds3

About 3-(7-hydroxy-1,2-benzoxazol-3-yl)propanoic acid

3-(7-hydroxy-1,2-benzoxazol-3-yl)propanoic acid (PubChem CID 84674857) has the molecular formula C10H9NO4 and a molecular weight of 207.19 g/mol. Its IUPAC name is 3-(7-hydroxy-1,2-benzoxazol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(7-hydroxy-1,2-benzoxazol-3-yl)propanoic acid
PubChem CID84674857
Molecular FormulaC10H9NO4
Molecular Weight207.19 g/mol
Exact Mass207.05
IUPAC Name3-(7-hydroxy-1,2-benzoxazol-3-yl)propanoic acid
SMILESO=C(O)CCc1noc2c(O)cccc12
InChIInChI=1S/C10H9NO4/c12-8-3-1-2-6-7(4-5-9(13)14)11-15-10(6)8/h1-3,12H,4-5H2,(H,13,14)
InChIKeyMDAPOILZSRPACB-UHFFFAOYSA-N
XLogP1.55
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(7-hydroxy-1,2-benzoxazol-3-yl)oxy]acetic acid
CID 84676549
7-hydroxy-1,2-benzoxazole-3-carboxylic acid
CID 84656727
3-(7-hydroxy-1-methylindazol-3-yl)propanoic acid
CID 84685431
3-(2-aminopropyl)-1,2-benzoxazol-7-ol
CID 84663914
3-phenyl-1,2-benzoxazol-7-ol
CID 105464793
3-(7-methyl-2,1-benzoxazol-3-yl)propanoic acid
CID 105457150
3-(4,5-dimethyl-1,2-oxazol-3-yl)propanoic acid
CID 4621886
3-(piperidin-2-ylmethyl)-1,2-benzoxazol-7-ol
CID 84695678
ethane;3-(7-hydroxy-1H-indol-3-yl)propanoic acid
CID 153346441
7-bromo-3-(2-bromoethyl)-1,2-benzoxazole
CID 39097559
3-quinolin-5-ylpropanoic acid
CID 81224223
3-(7-methoxy-2,1-benzoxazol-3-yl)propanoic acid
CID 105477082

Frequently Asked Questions

What is the IUPAC name of 3-(7-hydroxy-1,2-benzoxazol-3-yl)propanoic acid?
The IUPAC name of 3-(7-hydroxy-1,2-benzoxazol-3-yl)propanoic acid (CID 84674857) is 3-(7-hydroxy-1,2-benzoxazol-3-yl)propanoic acid.
What is the SMILES notation for 3-(7-hydroxy-1,2-benzoxazol-3-yl)propanoic acid?
The canonical SMILES for 3-(7-hydroxy-1,2-benzoxazol-3-yl)propanoic acid is O=C(O)CCc1noc2c(O)cccc12.
What is the InChIKey of 3-(7-hydroxy-1,2-benzoxazol-3-yl)propanoic acid?
The InChIKey is MDAPOILZSRPACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4/c12-8-3-1-2-6-7(4-5-9(13)14)11-15-10(6)8/h1-3,12H,4-5H2,(H,13,14).
What are the key properties of 3-(7-hydroxy-1,2-benzoxazol-3-yl)propanoic acid?
3-(7-hydroxy-1,2-benzoxazol-3-yl)propanoic acid has a molecular weight of 207.19 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-hydroxy-1,2-benzoxazol-3-yl)propanoic acid is sourced from PubChem (CID 84674857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).