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

C14H15NO4 — CID 82132981

IUPAC2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid
SMILESCOc1ccc(-c2nc(C)oc2CC(=O)O)cc1C
InChIInChI=1S/C14H15NO4/c1-8-6-10(4-5-11(8)18-3)14-12(7-13(16)17)19-9(2)15-14/h4-6H,7H2,1-3H3,(H,16,17)
InChIKeyBXMCMOFAHZDWRQ-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.59
Rot. Bonds4

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

2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid (PubChem CID 82132981) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid
PubChem CID82132981
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid
SMILESCOc1ccc(-c2nc(C)oc2CC(=O)O)cc1C
InChIInChI=1S/C14H15NO4/c1-8-6-10(4-5-11(8)18-3)14-12(7-13(16)17)19-9(2)15-14/h4-6H,7H2,1-3H3,(H,16,17)
InChIKeyBXMCMOFAHZDWRQ-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid
CID 82133676
2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1H-imidazol-5-yl]acetic acid
CID 82301560
2-[2-(dimethylamino)-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 97180987
2-[4-(4-methoxy-3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid
CID 82069391
2-[6-(4-methoxy-3-methylphenyl)-2,3-dihydro-1,4-benzodioxin-7-yl]acetic acid
CID 167983424
2-[6-(4-methoxy-3-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 93210519
2-[4-(3,4-dimethylphenyl)-1,3-oxazol-5-yl]acetic acid
CID 82128624
3,4-dimethoxy-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]benzamide
CID 110671401
3-(4-methoxy-3-methylphenyl)-1,2-oxazole-4-carboxylic acid
CID 82390150
2-[4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine
CID 82133922
2-[4-(4-methoxy-3-methylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]acetic acid
CID 97180992
2-(2-methoxyphenyl)-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]acetamide
CID 110671433

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid (CID 82132981) is 2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid is COc1ccc(-c2nc(C)oc2CC(=O)O)cc1C.
What is the InChIKey of 2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid?
The InChIKey is BXMCMOFAHZDWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-8-6-10(4-5-11(8)18-3)14-12(7-13(16)17)19-9(2)15-14/h4-6H,7H2,1-3H3,(H,16,17).
What are the key properties of 2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid?
2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid has a molecular weight of 261.28 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid is sourced from PubChem (CID 82132981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).