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

C22H19N3O3S — CID 50844070

IUPAC3-methyl-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]thiophene-2-carboxamide
SMILESCc1ccccc1-c1nnc(COc2ccc(NC(=O)c3sccc3C)cc2)o1
InChIInChI=1S/C22H19N3O3S/c1-14-5-3-4-6-18(14)22-25-24-19(28-22)13-27-17-9-7-16(8-10-17)23-21(26)20-15(2)11-12-29-20/h3-12H,13H2,1-2H3,(H,23,26)
InChIKeyOIPIBZPYAXHBDE-UHFFFAOYSA-N
MW405.48 g/mol
LogP5.25
Rot. Bonds6

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

3-methyl-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]thiophene-2-carboxamide (PubChem CID 50844070) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is 3-methyl-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]thiophene-2-carboxamide
PubChem CID50844070
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC Name3-methyl-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]thiophene-2-carboxamide
SMILESCc1ccccc1-c1nnc(COc2ccc(NC(=O)c3sccc3C)cc2)o1
InChIInChI=1S/C22H19N3O3S/c1-14-5-3-4-6-18(14)22-25-24-19(28-22)13-27-17-9-7-16(8-10-17)23-21(26)20-15(2)11-12-29-20/h3-12H,13H2,1-2H3,(H,23,26)
InChIKeyOIPIBZPYAXHBDE-UHFFFAOYSA-N
XLogP5.25
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.48
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]thiophene-2-carboxamide with MolForge

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Related Compounds

4-acetamido-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide
CID 50843884
3-acetamido-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide
CID 50844299
2-[(3,4-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 110655671
1-(3,4-dimethylphenyl)-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 50844038
N-(4-hydroxyphenyl)-3-methylthiophene-2-carboxamide
CID 28739515
4-methoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319256
4-acetamido-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide
CID 50843851
N-(4-ethylphenyl)-3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334212
2-(methoxymethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 53017493
1-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylurea
CID 110319278
2-[(3-chlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 110655637
N-(4-methoxyphenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 53162088

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]thiophene-2-carboxamide (CID 50844070) is 3-methyl-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]thiophene-2-carboxamide is Cc1ccccc1-c1nnc(COc2ccc(NC(=O)c3sccc3C)cc2)o1.
What is the InChIKey of 3-methyl-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]thiophene-2-carboxamide?
The InChIKey is OIPIBZPYAXHBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-14-5-3-4-6-18(14)22-25-24-19(28-22)13-27-17-9-7-16(8-10-17)23-21(26)20-15(2)11-12-29-20/h3-12H,13H2,1-2H3,(H,23,26).
What are the key properties of 3-methyl-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]thiophene-2-carboxamide?
3-methyl-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]thiophene-2-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 50844070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).