5-(2-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid

C12H13NO4 — CID 115059922

IUPAC5-(2-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid
SMILESCOc1ccccc1C1OC(C)=NC1C(=O)O
InChIInChI=1S/C12H13NO4/c1-7-13-10(12(14)15)11(17-7)8-5-3-4-6-9(8)16-2/h3-6,10-11H,1-2H3,(H,14,15)
InChIKeyLNRBAJFHWASURC-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.64
Rot. Bonds3

About 5-(2-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid

5-(2-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid (PubChem CID 115059922) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid
PubChem CID115059922
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name5-(2-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid
SMILESCOc1ccccc1C1OC(C)=NC1C(=O)O
InChIInChI=1S/C12H13NO4/c1-7-13-10(12(14)15)11(17-7)8-5-3-4-6-9(8)16-2/h3-6,10-11H,1-2H3,(H,14,15)
InChIKeyLNRBAJFHWASURC-UHFFFAOYSA-N
XLogP1.64
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxylic acid
CID 115059916
(2S,3S)-2-(2-methoxyphenyl)-5-oxooxolane-3-carboxylic acid
CID 725397
trans-(1S,3S)-3-(2-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 94768049
ethyl 5-(4-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 139762859
4-(2-methoxyphenyl)oxolane-2-carboxylic acid
CID 175762342
4-(2-methoxyphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid
CID 22299165
4-[5-(2-methoxyphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid
CID 89329101
(4S,5S)-5-(2-methoxyphenyl)-4-methyl-3-methylideneoxolan-2-one
CID 101402509
4-(2-methoxyphenyl)-6-methyl-2-sulfanylidene-4,5-dihydropyrimidine-3,5-dicarboxylic acid
CID 57166633
methyl 5-(5-chlorothiophen-2-yl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 139762891
(2S,3R)-N,N-diethyl-3-(2-methoxyphenyl)oxirane-2-carboxamide
CID 56601477
4-(2-methoxyphenyl)-2-phenyl-4H-1,3-oxazol-5-one
CID 45123203

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-(2-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid (CID 115059922) is 5-(2-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(2-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid is COc1ccccc1C1OC(C)=NC1C(=O)O.
What is the InChIKey of 5-(2-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The InChIKey is LNRBAJFHWASURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-7-13-10(12(14)15)11(17-7)8-5-3-4-6-9(8)16-2/h3-6,10-11H,1-2H3,(H,14,15).
What are the key properties of 5-(2-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
5-(2-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 115059922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).