2-(1-benzofuran-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid

C15H13NO4 — CID 114373445

IUPAC2-(1-benzofuran-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
SMILESCC(C)c1nc(-c2coc3ccccc23)oc1C(=O)O
InChIInChI=1S/C15H13NO4/c1-8(2)12-13(15(17)18)20-14(16-12)10-7-19-11-6-4-3-5-9(10)11/h3-8H,1-2H3,(H,17,18)
InChIKeyCHXBZJJMUJUUDZ-UHFFFAOYSA-N
MW271.27 g/mol
LogP3.91
Rot. Bonds3

About 2-(1-benzofuran-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid

2-(1-benzofuran-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid (PubChem CID 114373445) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-(1-benzofuran-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-benzofuran-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
PubChem CID114373445
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name2-(1-benzofuran-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
SMILESCC(C)c1nc(-c2coc3ccccc23)oc1C(=O)O
InChIInChI=1S/C15H13NO4/c1-8(2)12-13(15(17)18)20-14(16-12)10-7-19-11-6-4-3-5-9(10)11/h3-8H,1-2H3,(H,17,18)
InChIKeyCHXBZJJMUJUUDZ-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzofuran-3-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
CID 114373802
2-(2-chlorophenyl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 114373683
2-(2-chloro-3-methylphenyl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 114373711
2-(5-bromofuran-2-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 114373776
2-(4-bromo-2-methylphenyl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 114373702
2-(2-methylpyrazol-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 114373627
N-[[2-(1-benzofuran-3-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114365059
2-(3-bromo-2-fluorophenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 107953427
2-amino-2-[2-(1-benzofuran-3-yl)-1,3-thiazol-4-yl]acetic acid
CID 104527113
4-ethyl-2-naphthalen-1-yl-1,3-oxazole-5-carboxylic acid
CID 104842342
5-(1-benzofuran-3-yl)-2-(1-chloroethyl)-1,3-oxazole
CID 65179468
2-[1-(1-benzofuran-3-yl)ethylamino]-6-methylpyridine-3-carboxylic acid
CID 167821100

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(1-benzofuran-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid (CID 114373445) is 2-(1-benzofuran-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(1-benzofuran-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(1-benzofuran-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid is CC(C)c1nc(-c2coc3ccccc23)oc1C(=O)O.
What is the InChIKey of 2-(1-benzofuran-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid?
The InChIKey is CHXBZJJMUJUUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-8(2)12-13(15(17)18)20-14(16-12)10-7-19-11-6-4-3-5-9(10)11/h3-8H,1-2H3,(H,17,18).
What are the key properties of 2-(1-benzofuran-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid?
2-(1-benzofuran-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid has a molecular weight of 271.27 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 114373445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).