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

C21H17N3O2S — CID 58629799

IUPACN-[4-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]thiophene-3-carboxamide
SMILESCc1noc(-c2ccc(-c3cc(NC(=O)c4ccsc4)ccc3C)cc2)n1
InChIInChI=1S/C21H17N3O2S/c1-13-3-8-18(23-20(25)17-9-10-27-12-17)11-19(13)15-4-6-16(7-5-15)21-22-14(2)24-26-21/h3-12H,1-2H3,(H,23,25)
InChIKeyNVACBPZBNVENOC-UHFFFAOYSA-N
MW375.45 g/mol
LogP5.33
Rot. Bonds4

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

N-[4-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]thiophene-3-carboxamide (PubChem CID 58629799) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[4-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]thiophene-3-carboxamide
PubChem CID58629799
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC NameN-[4-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]thiophene-3-carboxamide
SMILESCc1noc(-c2ccc(-c3cc(NC(=O)c4ccsc4)ccc3C)cc2)n1
InChIInChI=1S/C21H17N3O2S/c1-13-3-8-18(23-20(25)17-9-10-27-12-17)11-19(13)15-4-6-16(7-5-15)21-22-14(2)24-26-21/h3-12H,1-2H3,(H,23,25)
InChIKeyNVACBPZBNVENOC-UHFFFAOYSA-N
XLogP5.33
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.45
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromo-4-methylphenyl)thiophene-3-carboxamide
CID 55027767
N-[4-(methylcarbamoylamino)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 134050975
N-[3-(methylcarbamoylamino)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 33439699
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-4-carboxamide
CID 110643697
N-[4-(2-amino-2-oxoethyl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 31861070
N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 134052955
N-(2-methyl-5-pyridin-4-ylphenyl)thiophene-3-carboxamide
CID 122136858
N-(4-iodo-2-methylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 46549727
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide
CID 36852413
2-bromo-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 50747821
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 55530367
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(4-morpholin-4-ylphenyl)benzamide
CID 36867179

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]thiophene-3-carboxamide?
The IUPAC name of N-[4-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]thiophene-3-carboxamide (CID 58629799) is N-[4-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]thiophene-3-carboxamide is Cc1noc(-c2ccc(-c3cc(NC(=O)c4ccsc4)ccc3C)cc2)n1.
What is the InChIKey of N-[4-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]thiophene-3-carboxamide?
The InChIKey is NVACBPZBNVENOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c1-13-3-8-18(23-20(25)17-9-10-27-12-17)11-19(13)15-4-6-16(7-5-15)21-22-14(2)24-26-21/h3-12H,1-2H3,(H,23,25).
What are the key properties of N-[4-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]thiophene-3-carboxamide?
N-[4-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]thiophene-3-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 58629799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).