3-phenoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide

C19H13N3O3S — CID 2104499

IUPAC3-phenoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2cccs2)o1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C19H13N3O3S/c23-17(20-19-22-21-18(25-19)16-10-5-11-26-16)13-6-4-9-15(12-13)24-14-7-2-1-3-8-14/h1-12H,(H,20,22,23)
InChIKeyMBVQXROOHJHRLV-UHFFFAOYSA-N
MW363.40 g/mol
LogP4.84
Rot. Bonds5

About 3-phenoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide

3-phenoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 2104499) has the molecular formula C19H13N3O3S and a molecular weight of 363.40 g/mol. Its IUPAC name is 3-phenoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-phenoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID2104499
Molecular FormulaC19H13N3O3S
Molecular Weight363.40 g/mol
Exact Mass363.07
IUPAC Name3-phenoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2cccs2)o1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C19H13N3O3S/c23-17(20-19-22-21-18(25-19)16-10-5-11-26-16)13-6-4-9-15(12-13)24-14-7-2-1-3-8-14/h1-12H,(H,20,22,23)
InChIKeyMBVQXROOHJHRLV-UHFFFAOYSA-N
XLogP4.84
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 3-phenoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 2104499) is 3-phenoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 3-phenoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 3-phenoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is O=C(Nc1nnc(-c2cccs2)o1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 3-phenoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is MBVQXROOHJHRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O3S/c23-17(20-19-22-21-18(25-19)16-10-5-11-26-16)13-6-4-9-15(12-13)24-14-7-2-1-3-8-14/h1-12H,(H,20,22,23).
What are the key properties of 3-phenoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
3-phenoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 363.40 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 2104499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).