(2-oxo-1,2-diphenylethyl) 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate

C24H19NO4S — CID 55515562

IUPAC(2-oxo-1,2-diphenylethyl) 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
SMILESCc1oc(-c2cccs2)nc1CC(=O)OC(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H19NO4S/c1-16-19(25-24(28-16)20-13-8-14-30-20)15-21(26)29-23(18-11-6-3-7-12-18)22(27)17-9-4-2-5-10-17/h2-14,23H,15H2,1H3
InChIKeyGXYPKPPWKQYEDI-UHFFFAOYSA-N
MW417.49 g/mol
LogP5.42
Rot. Bonds7

About (2-oxo-1,2-diphenylethyl) 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate

(2-oxo-1,2-diphenylethyl) 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate (PubChem CID 55515562) has the molecular formula C24H19NO4S and a molecular weight of 417.49 g/mol. Its IUPAC name is (2-oxo-1,2-diphenylethyl) 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate.

Molecular Properties

Compound Name(2-oxo-1,2-diphenylethyl) 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
PubChem CID55515562
Molecular FormulaC24H19NO4S
Molecular Weight417.49 g/mol
Exact Mass417.10
IUPAC Name(2-oxo-1,2-diphenylethyl) 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
SMILESCc1oc(-c2cccs2)nc1CC(=O)OC(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H19NO4S/c1-16-19(25-24(28-16)20-13-8-14-30-20)15-21(26)29-23(18-11-6-3-7-12-18)22(27)17-9-4-2-5-10-17/h2-14,23H,15H2,1H3
InChIKeyGXYPKPPWKQYEDI-UHFFFAOYSA-N
XLogP5.42
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.49
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-oxo-1,2-diphenylethyl) 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate with MolForge

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Launch Full Analysis

Related Compounds

N-(2-methyl-1-phenylpropyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 24627992
prop-2-ynyl 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
CID 75416781
[1-(4-bromoanilino)-1-oxopropan-2-yl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
CID 55998676
3,3,3-trifluoropropyl 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
CID 99628868
benzyl 2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]acetate
CID 31046909
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2-phenoxyethyl)acetamide
CID 32934772
(2S,3S)-3-methyl-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]pentanoic acid
CID 119194033
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2R)-2-benzamido-3-hydroxypropanoate
CID 51966261
4-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]-5-phenylpentanoic acid
CID 120546766
2-methyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanoic acid
CID 64916269
N-(3,4-dichlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31701072
N-(4-chlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31780131

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,2-diphenylethyl) 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate?
The IUPAC name of (2-oxo-1,2-diphenylethyl) 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate (CID 55515562) is (2-oxo-1,2-diphenylethyl) 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate.
What is the SMILES notation for (2-oxo-1,2-diphenylethyl) 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate?
The canonical SMILES for (2-oxo-1,2-diphenylethyl) 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate is Cc1oc(-c2cccs2)nc1CC(=O)OC(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2-oxo-1,2-diphenylethyl) 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate?
The InChIKey is GXYPKPPWKQYEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4S/c1-16-19(25-24(28-16)20-13-8-14-30-20)15-21(26)29-23(18-11-6-3-7-12-18)22(27)17-9-4-2-5-10-17/h2-14,23H,15H2,1H3.
What are the key properties of (2-oxo-1,2-diphenylethyl) 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate?
(2-oxo-1,2-diphenylethyl) 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate has a molecular weight of 417.49 g/mol, XLogP of 5.42, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,2-diphenylethyl) 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate is sourced from PubChem (CID 55515562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).