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

C13H13NO3 — CID 82128606

IUPAC2-[4-methyl-2-(3-methylphenyl)-1,3-oxazol-5-yl]acetic acid
SMILESCc1cccc(-c2nc(C)c(CC(=O)O)o2)c1
InChIInChI=1S/C13H13NO3/c1-8-4-3-5-10(6-8)13-14-9(2)11(17-13)7-12(15)16/h3-6H,7H2,1-2H3,(H,15,16)
InChIKeyZUDWJGRXQWWHMW-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.59
Rot. Bonds3

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

2-[4-methyl-2-(3-methylphenyl)-1,3-oxazol-5-yl]acetic acid (PubChem CID 82128606) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-[4-methyl-2-(3-methylphenyl)-1,3-oxazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-methyl-2-(3-methylphenyl)-1,3-oxazol-5-yl]acetic acid
PubChem CID82128606
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name2-[4-methyl-2-(3-methylphenyl)-1,3-oxazol-5-yl]acetic acid
SMILESCc1cccc(-c2nc(C)c(CC(=O)O)o2)c1
InChIInChI=1S/C13H13NO3/c1-8-4-3-5-10(6-8)13-14-9(2)11(17-13)7-12(15)16/h3-6H,7H2,1-2H3,(H,15,16)
InChIKeyZUDWJGRXQWWHMW-UHFFFAOYSA-N
XLogP2.59
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-oxazol-5-yl]acetic acid
CID 82488298
2-[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]acetic acid
CID 61269584
2-[5-(3-methylphenyl)furan-2-yl]acetic acid
CID 35754290
N-(3,4-difluorophenyl)-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide
CID 110651460
N-(2,4-difluorophenyl)-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide
CID 110410212
[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methanol
CID 21300962
5-(3-methylphenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 39240671
N-cyclohexyl-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide
CID 110647492
2-(3-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carboxylic acid
CID 91350154
N-cycloheptyl-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide
CID 110649225
N-(4-bromophenyl)-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide
CID 110650188
5-ethyl-4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 21334537

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(3-methylphenyl)-1,3-oxazol-5-yl]acetic acid?
The IUPAC name of 2-[4-methyl-2-(3-methylphenyl)-1,3-oxazol-5-yl]acetic acid (CID 82128606) is 2-[4-methyl-2-(3-methylphenyl)-1,3-oxazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-methyl-2-(3-methylphenyl)-1,3-oxazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-methyl-2-(3-methylphenyl)-1,3-oxazol-5-yl]acetic acid is Cc1cccc(-c2nc(C)c(CC(=O)O)o2)c1.
What is the InChIKey of 2-[4-methyl-2-(3-methylphenyl)-1,3-oxazol-5-yl]acetic acid?
The InChIKey is ZUDWJGRXQWWHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-8-4-3-5-10(6-8)13-14-9(2)11(17-13)7-12(15)16/h3-6H,7H2,1-2H3,(H,15,16).
What are the key properties of 2-[4-methyl-2-(3-methylphenyl)-1,3-oxazol-5-yl]acetic acid?
2-[4-methyl-2-(3-methylphenyl)-1,3-oxazol-5-yl]acetic acid has a molecular weight of 231.25 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(3-methylphenyl)-1,3-oxazol-5-yl]acetic acid is sourced from PubChem (CID 82128606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).