2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-2-methylpropanoic acid

C19H17NO3S — CID 54003454

IUPAC2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-2-methylpropanoic acid
SMILESCC(C)(Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)O
InChIInChI=1S/C19H17NO3S/c1-19(2,17(21)22)24-18-20-15(13-9-5-3-6-10-13)16(23-18)14-11-7-4-8-12-14/h3-12H,1-2H3,(H,21,22)
InChIKeyKNFQCUZHMHNXJB-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.96
Rot. Bonds5

About 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-2-methylpropanoic acid

2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-2-methylpropanoic acid (PubChem CID 54003454) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-2-methylpropanoic acid
PubChem CID54003454
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC Name2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-2-methylpropanoic acid
SMILESCC(C)(Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)O
InChIInChI=1S/C19H17NO3S/c1-19(2,17(21)22)24-18-20-15(13-9-5-3-6-10-13)16(23-18)14-11-7-4-8-12-14/h3-12H,1-2H3,(H,21,22)
InChIKeyKNFQCUZHMHNXJB-UHFFFAOYSA-N
XLogP4.96
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 7266243
2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl chloride
CID 54148093
4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]butan-2-one;hydrochloride
CID 43833962
(2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 7266259
3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N,N-dimethylpropanamide
CID 3976740
2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-N-phenylacetamide
CID 5037309
2-[4-(4-formyl-5-phenyl-1,3-oxazol-2-yl)phenyl]sulfanyl-2-methylpropanoic acid
CID 142239112
2-[[4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]-4,5-diphenyl-1,3-oxazole
CID 4108977
methyl 8-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]octanoate
CID 15228842
(2S)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one
CID 7266233
4,5-diphenyl-2-(3,3,3-trifluoropropylsulfanyl)-1,3-oxazole
CID 134066741
5-[[2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylic acid
CID 45468337

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-2-methylpropanoic acid?
The IUPAC name of 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-2-methylpropanoic acid (CID 54003454) is 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-2-methylpropanoic acid is CC(C)(Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)O.
What is the InChIKey of 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-2-methylpropanoic acid?
The InChIKey is KNFQCUZHMHNXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c1-19(2,17(21)22)24-18-20-15(13-9-5-3-6-10-13)16(23-18)14-11-7-4-8-12-14/h3-12H,1-2H3,(H,21,22).
What are the key properties of 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-2-methylpropanoic acid?
2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-2-methylpropanoic acid has a molecular weight of 339.42 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-2-methylpropanoic acid is sourced from PubChem (CID 54003454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).