(5R)-3-(2,4-dimethoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid

C13H15NO5 — CID 95658937

IUPAC(5R)-3-(2,4-dimethoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
SMILESCOc1ccc(C2=NO[C@@](C)(C(=O)O)C2)c(OC)c1
InChIInChI=1S/C13H15NO5/c1-13(12(15)16)7-10(14-19-13)9-5-4-8(17-2)6-11(9)18-3/h4-6H,7H2,1-3H3,(H,15,16)/t13-/m1/s1
InChIKeyIXNSBTZNLYBYQH-CYBMUJFWSA-N
MW265.26 g/mol
LogP1.67
Rot. Bonds4

About (5R)-3-(2,4-dimethoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid

(5R)-3-(2,4-dimethoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid (PubChem CID 95658937) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is (5R)-3-(2,4-dimethoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name(5R)-3-(2,4-dimethoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
PubChem CID95658937
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name(5R)-3-(2,4-dimethoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
SMILESCOc1ccc(C2=NO[C@@](C)(C(=O)O)C2)c(OC)c1
InChIInChI=1S/C13H15NO5/c1-13(12(15)16)7-10(14-19-13)9-5-4-8(17-2)6-11(9)18-3/h4-6H,7H2,1-3H3,(H,15,16)/t13-/m1/s1
InChIKeyIXNSBTZNLYBYQH-CYBMUJFWSA-N
XLogP1.67
TPSA77.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,5-dimethoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 103693699
3-(2-cyclopropylphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 102725051
(5R)-3-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 7662146
(5R)-3-(2-methoxyphenyl)-5-methyl-N-propyl-4H-1,2-oxazole-5-carboxamide
CID 97465817
(5S)-3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 93019883
3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 42882800
2-(2,4-dimethoxyphenyl)-4-propan-2-yl-5H-1,3-thiazole-4-carboxylic acid
CID 68895170
5-(2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 16792916
3-(3,4-difluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 103693713
3-(furan-3-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 53323582
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 91954537
3-(2-methoxyphenyl)-5-methyl-N-pyridin-2-yl-4H-1,2-oxazole-5-carboxamide
CID 91946159

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(2,4-dimethoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid?
The IUPAC name of (5R)-3-(2,4-dimethoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid (CID 95658937) is (5R)-3-(2,4-dimethoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for (5R)-3-(2,4-dimethoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for (5R)-3-(2,4-dimethoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid is COc1ccc(C2=NO[C@@](C)(C(=O)O)C2)c(OC)c1.
What is the InChIKey of (5R)-3-(2,4-dimethoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid?
The InChIKey is IXNSBTZNLYBYQH-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H15NO5/c1-13(12(15)16)7-10(14-19-13)9-5-4-8(17-2)6-11(9)18-3/h4-6H,7H2,1-3H3,(H,15,16)/t13-/m1/s1.
What are the key properties of (5R)-3-(2,4-dimethoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid?
(5R)-3-(2,4-dimethoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid has a molecular weight of 265.26 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(2,4-dimethoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 95658937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).