2-(2-butan-2-yloxyphenyl)-1,3-oxazole-4-carboxylic acid

C14H15NO4 — CID 167987422

IUPAC2-(2-butan-2-yloxyphenyl)-1,3-oxazole-4-carboxylic acid
SMILESCCC(C)Oc1ccccc1-c1nc(C(=O)O)co1
InChIInChI=1S/C14H15NO4/c1-3-9(2)19-12-7-5-4-6-10(12)13-15-11(8-18-13)14(16)17/h4-9H,3H2,1-2H3,(H,16,17)
InChIKeyYZJUMOKAAWZWGW-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.22
Rot. Bonds5

About 2-(2-butan-2-yloxyphenyl)-1,3-oxazole-4-carboxylic acid

2-(2-butan-2-yloxyphenyl)-1,3-oxazole-4-carboxylic acid (PubChem CID 167987422) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-(2-butan-2-yloxyphenyl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-butan-2-yloxyphenyl)-1,3-oxazole-4-carboxylic acid
PubChem CID167987422
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name2-(2-butan-2-yloxyphenyl)-1,3-oxazole-4-carboxylic acid
SMILESCCC(C)Oc1ccccc1-c1nc(C(=O)O)co1
InChIInChI=1S/C14H15NO4/c1-3-9(2)19-12-7-5-4-6-10(12)13-15-11(8-18-13)14(16)17/h4-9H,3H2,1-2H3,(H,16,17)
InChIKeyYZJUMOKAAWZWGW-UHFFFAOYSA-N
XLogP3.22
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyclohexyloxyphenyl)-1,3-oxazole-4-carboxylic acid
CID 166357895
3-butan-2-yloxy-2-methylbenzoic acid
CID 69219357
ethyl 2-(2-chlorophenyl)-1,3-oxazole-4-carboxylate
CID 53407303
2-(2,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxylic acid
CID 62234680
2-(2-methoxy-3-pyridinyl)-1,3-oxazole-4-carboxylic acid
CID 118224484
5-(2-butan-2-yloxyphenyl)furan-2-carbaldehyde
CID 169332268
2-(4-bromo-2-methoxyphenyl)-1,3-oxazole-4-carboxylic acid
CID 115370044
2-(2-butan-2-yloxyphenyl)-3H-quinazolin-4-one
CID 168552014
2-(4-methoxy-2,3-dimethylphenyl)-1,3-oxazole-4-carboxylic acid
CID 82479704
2-(2-butan-2-yloxyphenyl)-4-oxochromene-7-carboxylic acid
CID 21325094
2-butan-2-yloxybenzoyl chloride
CID 134306055
3-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoic acid
CID 119211721

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-yloxyphenyl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(2-butan-2-yloxyphenyl)-1,3-oxazole-4-carboxylic acid (CID 167987422) is 2-(2-butan-2-yloxyphenyl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-butan-2-yloxyphenyl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(2-butan-2-yloxyphenyl)-1,3-oxazole-4-carboxylic acid is CCC(C)Oc1ccccc1-c1nc(C(=O)O)co1.
What is the InChIKey of 2-(2-butan-2-yloxyphenyl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is YZJUMOKAAWZWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-3-9(2)19-12-7-5-4-6-10(12)13-15-11(8-18-13)14(16)17/h4-9H,3H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-butan-2-yloxyphenyl)-1,3-oxazole-4-carboxylic acid?
2-(2-butan-2-yloxyphenyl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-yloxyphenyl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 167987422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).