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

C15H13N3O2S — CID 53042244

IUPACN-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide
SMILESCc1nc(-c2cc(NC(=O)c3ccccc3)c(C)s2)no1
InChIInChI=1S/C15H13N3O2S/c1-9-12(17-15(19)11-6-4-3-5-7-11)8-13(21-9)14-16-10(2)20-18-14/h3-8H,1-2H3,(H,17,19)
InChIKeyVCQXJPWMNOLXKH-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.67
Rot. Bonds3

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

N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide (PubChem CID 53042244) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide
PubChem CID53042244
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC NameN-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide
SMILESCc1nc(-c2cc(NC(=O)c3ccccc3)c(C)s2)no1
InChIInChI=1S/C15H13N3O2S/c1-9-12(17-15(19)11-6-4-3-5-7-11)8-13(21-9)14-16-10(2)20-18-14/h3-8H,1-2H3,(H,17,19)
InChIKeyVCQXJPWMNOLXKH-UHFFFAOYSA-N
XLogP3.67
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide?
The IUPAC name of N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide (CID 53042244) is N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide.
What is the SMILES notation for N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide?
The canonical SMILES for N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide is Cc1nc(-c2cc(NC(=O)c3ccccc3)c(C)s2)no1.
What is the InChIKey of N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide?
The InChIKey is VCQXJPWMNOLXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-9-12(17-15(19)11-6-4-3-5-7-11)8-13(21-9)14-16-10(2)20-18-14/h3-8H,1-2H3,(H,17,19).
What are the key properties of N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide?
N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide has a molecular weight of 299.36 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide is sourced from PubChem (CID 53042244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).