2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetic acid

C12H11NO3 — CID 2775139

IUPAC2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetic acid
SMILESCc1oc(-c2ccccc2)nc1CC(=O)O
InChIInChI=1S/C12H11NO3/c1-8-10(7-11(14)15)13-12(16-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,14,15)
InChIKeyXEWJNPORMBGGKZ-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.28
Rot. Bonds3

About 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetic acid

2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetic acid (PubChem CID 2775139) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetic acid
PubChem CID2775139
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetic acid
SMILESCc1oc(-c2ccccc2)nc1CC(=O)O
InChIInChI=1S/C12H11NO3/c1-8-10(7-11(14)15)13-12(16-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,14,15)
InChIKeyXEWJNPORMBGGKZ-UHFFFAOYSA-N
XLogP2.28
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetic acid?
The IUPAC name of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetic acid (CID 2775139) is 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetic acid.
What is the SMILES notation for 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetic acid?
The canonical SMILES for 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetic acid is Cc1oc(-c2ccccc2)nc1CC(=O)O.
What is the InChIKey of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetic acid?
The InChIKey is XEWJNPORMBGGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-8-10(7-11(14)15)13-12(16-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,14,15).
What are the key properties of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetic acid?
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetic acid has a molecular weight of 217.22 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetic acid is sourced from PubChem (CID 2775139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).