4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide

C23H16N4O3S — CID 24608415

IUPAC4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide
SMILESO=C(NCc1coc(-c2cccs2)n1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C23H16N4O3S/c28-20(24-13-18-14-29-23(25-18)19-7-4-12-31-19)15-8-10-17(11-9-15)22-27-26-21(30-22)16-5-2-1-3-6-16/h1-12,14H,13H2,(H,24,28)
InChIKeyFPAVNKFFCFDBHS-UHFFFAOYSA-N
MW428.47 g/mol
LogP5.05
Rot. Bonds6

About 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide

4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide (PubChem CID 24608415) has the molecular formula C23H16N4O3S and a molecular weight of 428.47 g/mol. Its IUPAC name is 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide
PubChem CID24608415
Molecular FormulaC23H16N4O3S
Molecular Weight428.47 g/mol
Exact Mass428.09
IUPAC Name4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide
SMILESO=C(NCc1coc(-c2cccs2)n1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C23H16N4O3S/c28-20(24-13-18-14-29-23(25-18)19-7-4-12-31-19)15-8-10-17(11-9-15)22-27-26-21(30-22)16-5-2-1-3-6-16/h1-12,14H,13H2,(H,24,28)
InChIKeyFPAVNKFFCFDBHS-UHFFFAOYSA-N
XLogP5.05
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.47
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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4-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
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3-(2-thiophen-2-yl-1,3-oxazol-4-yl)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide?
The IUPAC name of 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide (CID 24608415) is 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide is O=C(NCc1coc(-c2cccs2)n1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide?
The InChIKey is FPAVNKFFCFDBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O3S/c28-20(24-13-18-14-29-23(25-18)19-7-4-12-31-19)15-8-10-17(11-9-15)22-27-26-21(30-22)16-5-2-1-3-6-16/h1-12,14H,13H2,(H,24,28).
What are the key properties of 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide?
4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide has a molecular weight of 428.47 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide is sourced from PubChem (CID 24608415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).