5-[2-(2-methoxyphenyl)propan-2-yl]-1,2-oxazole-3-carboxylic acid

C14H15NO4 — CID 82484911

IUPAC5-[2-(2-methoxyphenyl)propan-2-yl]-1,2-oxazole-3-carboxylic acid
SMILESCOc1ccccc1C(C)(C)c1cc(C(=O)O)no1
InChIInChI=1S/C14H15NO4/c1-14(2,9-6-4-5-7-11(9)18-3)12-8-10(13(16)17)15-19-12/h4-8H,1-3H3,(H,16,17)
InChIKeyBQGRMPZESBELQH-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.71
Rot. Bonds4

About 5-[2-(2-methoxyphenyl)propan-2-yl]-1,2-oxazole-3-carboxylic acid

5-[2-(2-methoxyphenyl)propan-2-yl]-1,2-oxazole-3-carboxylic acid (PubChem CID 82484911) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 5-[2-(2-methoxyphenyl)propan-2-yl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(2-methoxyphenyl)propan-2-yl]-1,2-oxazole-3-carboxylic acid
PubChem CID82484911
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name5-[2-(2-methoxyphenyl)propan-2-yl]-1,2-oxazole-3-carboxylic acid
SMILESCOc1ccccc1C(C)(C)c1cc(C(=O)O)no1
InChIInChI=1S/C14H15NO4/c1-14(2,9-6-4-5-7-11(9)18-3)12-8-10(13(16)17)15-19-12/h4-8H,1-3H3,(H,16,17)
InChIKeyBQGRMPZESBELQH-UHFFFAOYSA-N
XLogP2.71
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methoxyphenyl)propan-2-yl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[2-(2-methoxyphenyl)propan-2-yl]-1,2-oxazole-3-carboxylic acid (CID 82484911) is 5-[2-(2-methoxyphenyl)propan-2-yl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[2-(2-methoxyphenyl)propan-2-yl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[2-(2-methoxyphenyl)propan-2-yl]-1,2-oxazole-3-carboxylic acid is COc1ccccc1C(C)(C)c1cc(C(=O)O)no1.
What is the InChIKey of 5-[2-(2-methoxyphenyl)propan-2-yl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is BQGRMPZESBELQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-14(2,9-6-4-5-7-11(9)18-3)12-8-10(13(16)17)15-19-12/h4-8H,1-3H3,(H,16,17).
What are the key properties of 5-[2-(2-methoxyphenyl)propan-2-yl]-1,2-oxazole-3-carboxylic acid?
5-[2-(2-methoxyphenyl)propan-2-yl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methoxyphenyl)propan-2-yl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 82484911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).