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

C12H13NO4 — CID 7263720

IUPAC(5S)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
SMILESCOc1ccccc1C1=NO[C@](C)(C(=O)O)C1
InChIInChI=1S/C12H13NO4/c1-12(11(14)15)7-9(13-17-12)8-5-3-4-6-10(8)16-2/h3-6H,7H2,1-2H3,(H,14,15)/t12-/m0/s1
InChIKeyRZPURKNJWQOWGU-LBPRGKRZSA-N
MW235.24 g/mol
LogP1.66
Rot. Bonds3

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

(5S)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid (PubChem CID 7263720) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is (5S)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name(5S)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
PubChem CID7263720
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name(5S)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
SMILESCOc1ccccc1C1=NO[C@](C)(C(=O)O)C1
InChIInChI=1S/C12H13NO4/c1-12(11(14)15)7-9(13-17-12)8-5-3-4-6-10(8)16-2/h3-6H,7H2,1-2H3,(H,14,15)/t12-/m0/s1
InChIKeyRZPURKNJWQOWGU-LBPRGKRZSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-3-[2-(trifluoromethoxy)phenyl]-4H-1,2-oxazole-5-carboxylic acid
CID 102725111
3-(2,5-dimethoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 103693699
(5R)-3-(2,4-dimethoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 95658937
(5R)-N-cyclopropyl-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465820
(5R)-3-(2-methoxyphenyl)-5-methyl-N-propyl-4H-1,2-oxazole-5-carboxamide
CID 97465817
(5R)-3-(2-methoxyphenyl)-5-methyl-N-prop-2-enyl-4H-1,2-oxazole-5-carboxamide
CID 97465838
3-(2-methoxyphenyl)-5-methyl-N-pyridin-2-yl-4H-1,2-oxazole-5-carboxamide
CID 91946159
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 91954537
N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 91946284
3-(2-cyclopropylphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 102725051
3-(2-methoxyphenyl)-5-methyl-N-(4-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide
CID 91946158
3-(2-methoxyphenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide
CID 91946169

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid?
The IUPAC name of (5S)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid (CID 7263720) is (5S)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for (5S)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for (5S)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid is COc1ccccc1C1=NO[C@](C)(C(=O)O)C1.
What is the InChIKey of (5S)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid?
The InChIKey is RZPURKNJWQOWGU-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H13NO4/c1-12(11(14)15)7-9(13-17-12)8-5-3-4-6-10(8)16-2/h3-6H,7H2,1-2H3,(H,14,15)/t12-/m0/s1.
What are the key properties of (5S)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid?
(5S)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 7263720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).