5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[(4-methylphenyl)methyl]-1,2,4-oxadiazole

C19H18N4O — CID 151661379

IUPAC5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[(4-methylphenyl)methyl]-1,2,4-oxadiazole
SMILESCc1ccc(Cc2noc(-c3ccc(C4=NCCN4)cc3)n2)cc1
InChIInChI=1S/C19H18N4O/c1-13-2-4-14(5-3-13)12-17-22-19(24-23-17)16-8-6-15(7-9-16)18-20-10-11-21-18/h2-9H,10-12H2,1H3,(H,20,21)
InChIKeyQWPNEECJKPIEMV-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.99
Rot. Bonds4

About 5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[(4-methylphenyl)methyl]-1,2,4-oxadiazole

5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[(4-methylphenyl)methyl]-1,2,4-oxadiazole (PubChem CID 151661379) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[(4-methylphenyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[(4-methylphenyl)methyl]-1,2,4-oxadiazole
PubChem CID151661379
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[(4-methylphenyl)methyl]-1,2,4-oxadiazole
SMILESCc1ccc(Cc2noc(-c3ccc(C4=NCCN4)cc3)n2)cc1
InChIInChI=1S/C19H18N4O/c1-13-2-4-14(5-3-13)12-17-22-19(24-23-17)16-8-6-15(7-9-16)18-20-10-11-21-18/h2-9H,10-12H2,1H3,(H,20,21)
InChIKeyQWPNEECJKPIEMV-UHFFFAOYSA-N
XLogP2.99
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[(4-methylphenyl)methyl]-1,2,4-oxadiazole 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 5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[(4-methylphenyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[(4-methylphenyl)methyl]-1,2,4-oxadiazole (CID 151661379) is 5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[(4-methylphenyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[(4-methylphenyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[(4-methylphenyl)methyl]-1,2,4-oxadiazole is Cc1ccc(Cc2noc(-c3ccc(C4=NCCN4)cc3)n2)cc1.
What is the InChIKey of 5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[(4-methylphenyl)methyl]-1,2,4-oxadiazole?
The InChIKey is QWPNEECJKPIEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-13-2-4-14(5-3-13)12-17-22-19(24-23-17)16-8-6-15(7-9-16)18-20-10-11-21-18/h2-9H,10-12H2,1H3,(H,20,21).
What are the key properties of 5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[(4-methylphenyl)methyl]-1,2,4-oxadiazole?
5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[(4-methylphenyl)methyl]-1,2,4-oxadiazole has a molecular weight of 318.38 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[(4-methylphenyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 151661379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).