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

C22H16N6O2S — CID 71800611

IUPAC2-phenyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]triazole-4-carboxamide
SMILESO=C(Nc1ccccc1Cc1nc(-c2cccs2)no1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C22H16N6O2S/c29-22(18-14-23-28(26-18)16-8-2-1-3-9-16)24-17-10-5-4-7-15(17)13-20-25-21(27-30-20)19-11-6-12-31-19/h1-12,14H,13H2,(H,24,29)
InChIKeyPXJYQCAJAJKXGD-UHFFFAOYSA-N
MW428.48 g/mol
LogP4.22
Rot. Bonds6

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

2-phenyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]triazole-4-carboxamide (PubChem CID 71800611) has the molecular formula C22H16N6O2S and a molecular weight of 428.48 g/mol. Its IUPAC name is 2-phenyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]triazole-4-carboxamide
PubChem CID71800611
Molecular FormulaC22H16N6O2S
Molecular Weight428.48 g/mol
Exact Mass428.11
IUPAC Name2-phenyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]triazole-4-carboxamide
SMILESO=C(Nc1ccccc1Cc1nc(-c2cccs2)no1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C22H16N6O2S/c29-22(18-14-23-28(26-18)16-8-2-1-3-9-16)24-17-10-5-4-7-15(17)13-20-25-21(27-30-20)19-11-6-12-31-19/h1-12,14H,13H2,(H,24,29)
InChIKeyPXJYQCAJAJKXGD-UHFFFAOYSA-N
XLogP4.22
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-3-carboxamide
CID 90563812
1-phenyl-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90563863
5-(furan-2-yl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide
CID 86263846
2,5-dichloro-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90563709
2,4-dichloro-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90563708
4-cyano-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90563793
N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]butanamide
CID 90563659
3-methyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]butanamide
CID 90563664
3,3-dimethyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]butanamide
CID 90563665
1-(3-phenylpropyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90563896
2-indol-1-yl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
CID 90563624
2-[methyl(methylsulfonyl)amino]-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
CID 71800647

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]triazole-4-carboxamide?
The IUPAC name of 2-phenyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]triazole-4-carboxamide (CID 71800611) is 2-phenyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]triazole-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]triazole-4-carboxamide?
The canonical SMILES for 2-phenyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]triazole-4-carboxamide is O=C(Nc1ccccc1Cc1nc(-c2cccs2)no1)c1cnn(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]triazole-4-carboxamide?
The InChIKey is PXJYQCAJAJKXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6O2S/c29-22(18-14-23-28(26-18)16-8-2-1-3-9-16)24-17-10-5-4-7-15(17)13-20-25-21(27-30-20)19-11-6-12-31-19/h1-12,14H,13H2,(H,24,29).
What are the key properties of 2-phenyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]triazole-4-carboxamide?
2-phenyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]triazole-4-carboxamide has a molecular weight of 428.48 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]triazole-4-carboxamide is sourced from PubChem (CID 71800611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).