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

C11H10ClNO3 — CID 93019883

IUPAC(5S)-3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
SMILESC[C@@]1(C(=O)O)CC(c2ccc(Cl)cc2)=NO1
InChIInChI=1S/C11H10ClNO3/c1-11(10(14)15)6-9(13-16-11)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H,14,15)/t11-/m0/s1
InChIKeyFERMSOSSTIVNLH-NSHDSACASA-N
MW239.66 g/mol
LogP2.31
Rot. Bonds2

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

(5S)-3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid (PubChem CID 93019883) has the molecular formula C11H10ClNO3 and a molecular weight of 239.66 g/mol. Its IUPAC name is (5S)-3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name(5S)-3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
PubChem CID93019883
Molecular FormulaC11H10ClNO3
Molecular Weight239.66 g/mol
Exact Mass239.03
IUPAC Name(5S)-3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
SMILESC[C@@]1(C(=O)O)CC(c2ccc(Cl)cc2)=NO1
InChIInChI=1S/C11H10ClNO3/c1-11(10(14)15)6-9(13-16-11)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H,14,15)/t11-/m0/s1
InChIKeyFERMSOSSTIVNLH-NSHDSACASA-N
XLogP2.31
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 42882800
3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 68864607
(5S)-5-methyl-3-(4-propan-2-ylphenyl)-4H-1,2-oxazole-5-carboxylic acid
CID 95658934
3-(3,4-difluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 103693713
3-(4-cyanophenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 102725072
azepan-1-yl-[3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
CID 171133409
3-(5-chlorothiophen-2-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 102725034
3-(furan-3-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 53323582
5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 53016965
(5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 95051942
(5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylate
CID 7446724
3-(3,5-dimethoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 102725076

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid?
The IUPAC name of (5S)-3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid (CID 93019883) is (5S)-3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for (5S)-3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for (5S)-3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid is C[C@@]1(C(=O)O)CC(c2ccc(Cl)cc2)=NO1.
What is the InChIKey of (5S)-3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid?
The InChIKey is FERMSOSSTIVNLH-NSHDSACASA-N. The full InChI is InChI=1S/C11H10ClNO3/c1-11(10(14)15)6-9(13-16-11)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H,14,15)/t11-/m0/s1.
What are the key properties of (5S)-3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid?
(5S)-3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid has a molecular weight of 239.66 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 93019883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).