2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-5-yl]acetic acid

C15H13NO4 — CID 71247047

IUPAC2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-5-yl]acetic acid
SMILESCc1noc(C)c1-c1cc2cc(CC(=O)O)ccc2o1
InChIInChI=1S/C15H13NO4/c1-8-15(9(2)20-16-8)13-7-11-5-10(6-14(17)18)3-4-12(11)19-13/h3-5,7H,6H2,1-2H3,(H,17,18)
InChIKeyLHZXPYWZVRACQR-UHFFFAOYSA-N
MW271.27 g/mol
LogP3.33
Rot. Bonds3

About 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-5-yl]acetic acid

2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-5-yl]acetic acid (PubChem CID 71247047) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-5-yl]acetic acid
PubChem CID71247047
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-5-yl]acetic acid
SMILESCc1noc(C)c1-c1cc2cc(CC(=O)O)ccc2o1
InChIInChI=1S/C15H13NO4/c1-8-15(9(2)20-16-8)13-7-11-5-10(6-14(17)18)3-4-12(11)19-13/h3-5,7H,6H2,1-2H3,(H,17,18)
InChIKeyLHZXPYWZVRACQR-UHFFFAOYSA-N
XLogP3.33
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-5-yl]acetic acid?
The IUPAC name of 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-5-yl]acetic acid (CID 71247047) is 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-5-yl]acetic acid?
The canonical SMILES for 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-5-yl]acetic acid is Cc1noc(C)c1-c1cc2cc(CC(=O)O)ccc2o1.
What is the InChIKey of 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-5-yl]acetic acid?
The InChIKey is LHZXPYWZVRACQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-8-15(9(2)20-16-8)13-7-11-5-10(6-14(17)18)3-4-12(11)19-13/h3-5,7H,6H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-5-yl]acetic acid?
2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-5-yl]acetic acid has a molecular weight of 271.27 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-5-yl]acetic acid is sourced from PubChem (CID 71247047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).