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

C16H12N4O2S — CID 53078613

IUPAC4-cyano-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide
SMILESCc1nc(-c2cc(NC(=O)c3ccc(C#N)cc3)c(C)s2)no1
InChIInChI=1S/C16H12N4O2S/c1-9-13(7-14(23-9)15-18-10(2)22-20-15)19-16(21)12-5-3-11(8-17)4-6-12/h3-7H,1-2H3,(H,19,21)
InChIKeyQPHUNSQUNSTUCZ-UHFFFAOYSA-N
MW324.37 g/mol
LogP3.54
Rot. Bonds3

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

4-cyano-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide (PubChem CID 53078613) has the molecular formula C16H12N4O2S and a molecular weight of 324.37 g/mol. Its IUPAC name is 4-cyano-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide
PubChem CID53078613
Molecular FormulaC16H12N4O2S
Molecular Weight324.37 g/mol
Exact Mass324.07
IUPAC Name4-cyano-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide
SMILESCc1nc(-c2cc(NC(=O)c3ccc(C#N)cc3)c(C)s2)no1
InChIInChI=1S/C16H12N4O2S/c1-9-13(7-14(23-9)15-18-10(2)22-20-15)19-16(21)12-5-3-11(8-17)4-6-12/h3-7H,1-2H3,(H,19,21)
InChIKeyQPHUNSQUNSTUCZ-UHFFFAOYSA-N
XLogP3.54
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethoxy-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide
CID 53042243
N-(4-cyanophenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46292631
N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]thiophene-2-carboxamide
CID 53093367
N-[2-methyl-5-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 53078605
N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]benzamide
CID 53042299
N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide
CID 53042355
N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]pyridine-4-carboxamide
CID 53042375
4-methoxy-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide
CID 53140670
(E)-3-(furan-2-yl)-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]prop-2-enamide
CID 53078621
4-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2566426
3-acetamido-N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide
CID 53042334
3-cyano-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide
CID 53163530

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide?
The IUPAC name of 4-cyano-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide (CID 53078613) is 4-cyano-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide.
What is the SMILES notation for 4-cyano-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide?
The canonical SMILES for 4-cyano-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide is Cc1nc(-c2cc(NC(=O)c3ccc(C#N)cc3)c(C)s2)no1.
What is the InChIKey of 4-cyano-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide?
The InChIKey is QPHUNSQUNSTUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2S/c1-9-13(7-14(23-9)15-18-10(2)22-20-15)19-16(21)12-5-3-11(8-17)4-6-12/h3-7H,1-2H3,(H,19,21).
What are the key properties of 4-cyano-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide?
4-cyano-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide has a molecular weight of 324.37 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide is sourced from PubChem (CID 53078613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).