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

C16H15N3O3S — CID 53140670

IUPAC4-methoxy-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2cc(-c3nnc(C)o3)sc2C)cc1
InChIInChI=1S/C16H15N3O3S/c1-9-13(8-14(23-9)16-19-18-10(2)22-16)17-15(20)11-4-6-12(21-3)7-5-11/h4-8H,1-3H3,(H,17,20)
InChIKeyDEMNRSHSHJUZOW-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.68
Rot. Bonds4

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

4-methoxy-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide (PubChem CID 53140670) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 4-methoxy-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide
PubChem CID53140670
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name4-methoxy-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2cc(-c3nnc(C)o3)sc2C)cc1
InChIInChI=1S/C16H15N3O3S/c1-9-13(8-14(23-9)16-19-18-10(2)22-16)17-15(20)11-4-6-12(21-3)7-5-11/h4-8H,1-3H3,(H,17,20)
InChIKeyDEMNRSHSHJUZOW-UHFFFAOYSA-N
XLogP3.68
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.68
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-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylthiophen-3-yl]-2-methoxybenzamide
CID 53140727
N-(4,5-dimethylthiophen-2-yl)-4-methoxybenzamide
CID 1382571
N-(2,5-dimethylphenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 110693237
3,5-dimethoxy-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 110725637
N-(2,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 110392914
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 43976406
N-[2-(4-methoxyphenyl)ethyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 10137354
4-methoxy-N-(2-methoxy-5-methylphenyl)benzamide
CID 2302629
4-chloro-N-[4-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 170458785
4-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110322294
2-[(4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 760013

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide?
The IUPAC name of 4-methoxy-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide (CID 53140670) is 4-methoxy-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide is COc1ccc(C(=O)Nc2cc(-c3nnc(C)o3)sc2C)cc1.
What is the InChIKey of 4-methoxy-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide?
The InChIKey is DEMNRSHSHJUZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-9-13(8-14(23-9)16-19-18-10(2)22-16)17-15(20)11-4-6-12(21-3)7-5-11/h4-8H,1-3H3,(H,17,20).
What are the key properties of 4-methoxy-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide?
4-methoxy-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide has a molecular weight of 329.38 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide is sourced from PubChem (CID 53140670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).