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

C12H11NO3 — CID 82471717

IUPAC2-[2-(4-methylphenyl)-1,3-oxazol-5-yl]acetic acid
SMILESCc1ccc(-c2ncc(CC(=O)O)o2)cc1
InChIInChI=1S/C12H11NO3/c1-8-2-4-9(5-3-8)12-13-7-10(16-12)6-11(14)15/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyKQGNHNOEUQRDNF-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.28
Rot. Bonds3

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

2-[2-(4-methylphenyl)-1,3-oxazol-5-yl]acetic acid (PubChem CID 82471717) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)-1,3-oxazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)-1,3-oxazol-5-yl]acetic acid
PubChem CID82471717
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name2-[2-(4-methylphenyl)-1,3-oxazol-5-yl]acetic acid
SMILESCc1ccc(-c2ncc(CC(=O)O)o2)cc1
InChIInChI=1S/C12H11NO3/c1-8-2-4-9(5-3-8)12-13-7-10(16-12)6-11(14)15/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyKQGNHNOEUQRDNF-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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Related Compounds

2-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]acetic acid
CID 6619507
1-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]propan-2-one
CID 115087344
1-[2-(4-methylphenyl)-1,3-oxazol-5-yl]propan-2-ol
CID 115087326
3-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]propanoic acid
CID 115087405
methyl (E,2R)-2-hydroxy-2-[[2-(4-methylphenyl)-1,3-oxazol-5-yl]methyl]-4-phenylbut-3-enoate
CID 122373661
2-[2-(2,2-dimethylpropyl)-1,3-oxazol-5-yl]acetic acid
CID 115087051
5-[(2-methylphenyl)methyl]-2-phenyl-1,3-oxazole
CID 11414009
5-(4-methylphenyl)-2-phenyl-1,3-oxazole
CID 3946772
2-(4-methylphenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole
CID 12995331
methyl 3-bromo-2-hydroxy-3-phenyl-2-[(2-phenyl-1,3-oxazol-5-yl)methyl]propanoate
CID 138983945
2-[2-[(1S,2R)-2-methylcyclopropyl]-1,3-oxazol-5-yl]acetic acid
CID 125451996
2-methyl-6-[3-[(2-phenyl-1,3-oxazol-5-yl)methoxy]propoxymethyl]benzoic acid
CID 20597862

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)-1,3-oxazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(4-methylphenyl)-1,3-oxazol-5-yl]acetic acid (CID 82471717) is 2-[2-(4-methylphenyl)-1,3-oxazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-methylphenyl)-1,3-oxazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(4-methylphenyl)-1,3-oxazol-5-yl]acetic acid is Cc1ccc(-c2ncc(CC(=O)O)o2)cc1.
What is the InChIKey of 2-[2-(4-methylphenyl)-1,3-oxazol-5-yl]acetic acid?
The InChIKey is KQGNHNOEUQRDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-8-2-4-9(5-3-8)12-13-7-10(16-12)6-11(14)15/h2-5,7H,6H2,1H3,(H,14,15).
What are the key properties of 2-[2-(4-methylphenyl)-1,3-oxazol-5-yl]acetic acid?
2-[2-(4-methylphenyl)-1,3-oxazol-5-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-[2-(4-methylphenyl)-1,3-oxazol-5-yl]acetic acid is sourced from PubChem (CID 82471717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).