(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-benzamido-3-phenylpropanoate

C24H20N2O4S — CID 55404439

IUPAC(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-benzamido-3-phenylpropanoate
SMILESO=C(CC(NC(=O)c1ccccc1)c1ccccc1)OCc1cc(-c2cccs2)on1
InChIInChI=1S/C24H20N2O4S/c27-23(29-16-19-14-21(30-26-19)22-12-7-13-31-22)15-20(17-8-3-1-4-9-17)25-24(28)18-10-5-2-6-11-18/h1-14,20H,15-16H2,(H,25,28)
InChIKeyOFVNJIABORQNNN-UHFFFAOYSA-N
MW432.50 g/mol
LogP5.01
Rot. Bonds8

About (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-benzamido-3-phenylpropanoate

(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-benzamido-3-phenylpropanoate (PubChem CID 55404439) has the molecular formula C24H20N2O4S and a molecular weight of 432.50 g/mol. Its IUPAC name is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-benzamido-3-phenylpropanoate.

Molecular Properties

Compound Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-benzamido-3-phenylpropanoate
PubChem CID55404439
Molecular FormulaC24H20N2O4S
Molecular Weight432.50 g/mol
Exact Mass432.11
IUPAC Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-benzamido-3-phenylpropanoate
SMILESO=C(CC(NC(=O)c1ccccc1)c1ccccc1)OCc1cc(-c2cccs2)on1
InChIInChI=1S/C24H20N2O4S/c27-23(29-16-19-14-21(30-26-19)22-12-7-13-31-22)15-20(17-8-3-1-4-9-17)25-24(28)18-10-5-2-6-11-18/h1-14,20H,15-16H2,(H,25,28)
InChIKeyOFVNJIABORQNNN-UHFFFAOYSA-N
XLogP5.01
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.50
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8849047
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8849048
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl benzoate
CID 8648321
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-oxo-4-phenylbutanoate
CID 26530325
(5-phenyl-1,2-oxazol-3-yl)methyl 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 55399477
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonylamino)acetate
CID 8749702
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[(3-methylbenzoyl)amino]acetate
CID 8743810
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 35417786
(5-phenyl-1,2-oxazol-3-yl)methyl (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8807605
1,3-benzothiazol-2-ylmethyl (3S)-3-benzamido-3-phenylpropanoate
CID 7214705
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-fluorobenzoate
CID 16870177
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-methylphenyl)acetate
CID 8972367

Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-benzamido-3-phenylpropanoate?
The IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-benzamido-3-phenylpropanoate (CID 55404439) is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-benzamido-3-phenylpropanoate.
What is the SMILES notation for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-benzamido-3-phenylpropanoate?
The canonical SMILES for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-benzamido-3-phenylpropanoate is O=C(CC(NC(=O)c1ccccc1)c1ccccc1)OCc1cc(-c2cccs2)on1.
What is the InChIKey of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-benzamido-3-phenylpropanoate?
The InChIKey is OFVNJIABORQNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4S/c27-23(29-16-19-14-21(30-26-19)22-12-7-13-31-22)15-20(17-8-3-1-4-9-17)25-24(28)18-10-5-2-6-11-18/h1-14,20H,15-16H2,(H,25,28).
What are the key properties of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-benzamido-3-phenylpropanoate?
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-benzamido-3-phenylpropanoate has a molecular weight of 432.50 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-benzamido-3-phenylpropanoate is sourced from PubChem (CID 55404439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).