4-phenyl-2-(5-phenylthiophen-2-yl)-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole

C22H18N4OS — CID 155672471

IUPAC4-phenyl-2-(5-phenylthiophen-2-yl)-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole
SMILESc1ccc(-c2ccc(C3=NC(Cn4cncn4)(c4ccccc4)CO3)s2)cc1
InChIInChI=1S/C22H18N4OS/c1-3-7-17(8-4-1)19-11-12-20(28-19)21-25-22(14-27-21,13-26-16-23-15-24-26)18-9-5-2-6-10-18/h1-12,15-16H,13-14H2
InChIKeyDKQNGFWHSZZAPT-UHFFFAOYSA-N
MW386.48 g/mol
LogP4.38
Rot. Bonds5

About 4-phenyl-2-(5-phenylthiophen-2-yl)-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole

4-phenyl-2-(5-phenylthiophen-2-yl)-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole (PubChem CID 155672471) has the molecular formula C22H18N4OS and a molecular weight of 386.48 g/mol. Its IUPAC name is 4-phenyl-2-(5-phenylthiophen-2-yl)-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole.

Molecular Properties

Compound Name4-phenyl-2-(5-phenylthiophen-2-yl)-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole
PubChem CID155672471
Molecular FormulaC22H18N4OS
Molecular Weight386.48 g/mol
Exact Mass386.12
IUPAC Name4-phenyl-2-(5-phenylthiophen-2-yl)-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole
SMILESc1ccc(-c2ccc(C3=NC(Cn4cncn4)(c4ccccc4)CO3)s2)cc1
InChIInChI=1S/C22H18N4OS/c1-3-7-17(8-4-1)19-11-12-20(28-19)21-25-22(14-27-21,13-26-16-23-15-24-26)18-9-5-2-6-10-18/h1-12,15-16H,13-14H2
InChIKeyDKQNGFWHSZZAPT-UHFFFAOYSA-N
XLogP4.38
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-phenyl-2-(5-phenylthiophen-2-yl)-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(5-phenylthiophen-2-yl)-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole?
The IUPAC name of 4-phenyl-2-(5-phenylthiophen-2-yl)-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole (CID 155672471) is 4-phenyl-2-(5-phenylthiophen-2-yl)-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole.
What is the SMILES notation for 4-phenyl-2-(5-phenylthiophen-2-yl)-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole?
The canonical SMILES for 4-phenyl-2-(5-phenylthiophen-2-yl)-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole is c1ccc(-c2ccc(C3=NC(Cn4cncn4)(c4ccccc4)CO3)s2)cc1.
What is the InChIKey of 4-phenyl-2-(5-phenylthiophen-2-yl)-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole?
The InChIKey is DKQNGFWHSZZAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4OS/c1-3-7-17(8-4-1)19-11-12-20(28-19)21-25-22(14-27-21,13-26-16-23-15-24-26)18-9-5-2-6-10-18/h1-12,15-16H,13-14H2.
What are the key properties of 4-phenyl-2-(5-phenylthiophen-2-yl)-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole?
4-phenyl-2-(5-phenylthiophen-2-yl)-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole has a molecular weight of 386.48 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(5-phenylthiophen-2-yl)-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole is sourced from PubChem (CID 155672471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).