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

C17H15NO3 — CID 101027734

IUPAC(4R,5R)-4-methyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylic acid
SMILESC[C@@]1(C(=O)O)N=C(c2ccccc2)O[C@@H]1c1ccccc1
InChIInChI=1S/C17H15NO3/c1-17(16(19)20)14(12-8-4-2-5-9-12)21-15(18-17)13-10-6-3-7-11-13/h2-11,14H,1H3,(H,19,20)/t14-,17-/m1/s1
InChIKeyCTKXTRRBJUPYTQ-RHSMWYFYSA-N
MW281.31 g/mol
LogP3.05
Rot. Bonds3

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

(4R,5R)-4-methyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylic acid (PubChem CID 101027734) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is (4R,5R)-4-methyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name(4R,5R)-4-methyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylic acid
PubChem CID101027734
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name(4R,5R)-4-methyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylic acid
SMILESC[C@@]1(C(=O)O)N=C(c2ccccc2)O[C@@H]1c1ccccc1
InChIInChI=1S/C17H15NO3/c1-17(16(19)20)14(12-8-4-2-5-9-12)21-15(18-17)13-10-6-3-7-11-13/h2-11,14H,1H3,(H,19,20)/t14-,17-/m1/s1
InChIKeyCTKXTRRBJUPYTQ-RHSMWYFYSA-N
XLogP3.05
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-methyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylic acid?
The IUPAC name of (4R,5R)-4-methyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylic acid (CID 101027734) is (4R,5R)-4-methyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for (4R,5R)-4-methyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for (4R,5R)-4-methyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylic acid is C[C@@]1(C(=O)O)N=C(c2ccccc2)O[C@@H]1c1ccccc1.
What is the InChIKey of (4R,5R)-4-methyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylic acid?
The InChIKey is CTKXTRRBJUPYTQ-RHSMWYFYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-17(16(19)20)14(12-8-4-2-5-9-12)21-15(18-17)13-10-6-3-7-11-13/h2-11,14H,1H3,(H,19,20)/t14-,17-/m1/s1.
What are the key properties of (4R,5R)-4-methyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylic acid?
(4R,5R)-4-methyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-methyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 101027734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).