N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide

C19H13N3O2S — CID 742618

IUPACN-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(-c2nnc(-c3ccccc3)o2)c1)c1cccs1
InChIInChI=1S/C19H13N3O2S/c23-17(16-10-5-11-25-16)20-15-9-4-8-14(12-15)19-22-21-18(24-19)13-6-2-1-3-7-13/h1-12H,(H,20,23)
InChIKeyYWRZWQZEVHQQKE-UHFFFAOYSA-N
MW347.40 g/mol
LogP4.72
Rot. Bonds4

About N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide

N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide (PubChem CID 742618) has the molecular formula C19H13N3O2S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide
PubChem CID742618
Molecular FormulaC19H13N3O2S
Molecular Weight347.40 g/mol
Exact Mass347.07
IUPAC NameN-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(-c2nnc(-c3ccccc3)o2)c1)c1cccs1
InChIInChI=1S/C19H13N3O2S/c23-17(16-10-5-11-25-16)20-15-9-4-8-14(12-15)19-22-21-18(24-19)13-6-2-1-3-7-13/h1-12H,(H,20,23)
InChIKeyYWRZWQZEVHQQKE-UHFFFAOYSA-N
XLogP4.72
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide (CID 742618) is N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide is O=C(Nc1cccc(-c2nnc(-c3ccccc3)o2)c1)c1cccs1.
What is the InChIKey of N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is YWRZWQZEVHQQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2S/c23-17(16-10-5-11-25-16)20-15-9-4-8-14(12-15)19-22-21-18(24-19)13-6-2-1-3-7-13/h1-12H,(H,20,23).
What are the key properties of N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide?
N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 347.40 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 742618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).