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

C11H11NO3 — CID 7446725

IUPAC(5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylic acid
SMILESC[C@]1(C(=O)O)CC(c2ccccc2)=NO1
InChIInChI=1S/C11H11NO3/c1-11(10(13)14)7-9(12-15-11)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,13,14)/t11-/m1/s1
InChIKeyHHSXXVCKNAZBGR-LLVKDONJSA-N
MW205.21 g/mol
LogP1.65
Rot. Bonds2

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

(5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylic acid (PubChem CID 7446725) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is (5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name(5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylic acid
PubChem CID7446725
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name(5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylic acid
SMILESC[C@]1(C(=O)O)CC(c2ccccc2)=NO1
InChIInChI=1S/C11H11NO3/c1-11(10(13)14)7-9(12-15-11)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,13,14)/t11-/m1/s1
InChIKeyHHSXXVCKNAZBGR-LLVKDONJSA-N
XLogP1.65
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylic acid?
The IUPAC name of (5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylic acid (CID 7446725) is (5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for (5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for (5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylic acid is C[C@]1(C(=O)O)CC(c2ccccc2)=NO1.
What is the InChIKey of (5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylic acid?
The InChIKey is HHSXXVCKNAZBGR-LLVKDONJSA-N. The full InChI is InChI=1S/C11H11NO3/c1-11(10(13)14)7-9(12-15-11)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,13,14)/t11-/m1/s1.
What are the key properties of (5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylic acid?
(5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylic acid has a molecular weight of 205.21 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 7446725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).