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

C14H14N4O — CID 151074609

IUPAC5-cyclopropyl-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole
SMILESc1cc(-c2noc(C3CC3)n2)ccc1C1=NCCN1
InChIInChI=1S/C14H14N4O/c1-3-10(4-2-9(1)12-15-7-8-16-12)13-17-14(19-18-13)11-5-6-11/h1-4,11H,5-8H2,(H,15,16)
InChIKeyMIVTVPJEPMUPEN-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.96
Rot. Bonds3

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

5-cyclopropyl-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole (PubChem CID 151074609) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-cyclopropyl-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole
PubChem CID151074609
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name5-cyclopropyl-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole
SMILESc1cc(-c2noc(C3CC3)n2)ccc1C1=NCCN1
InChIInChI=1S/C14H14N4O/c1-3-10(4-2-9(1)12-15-7-8-16-12)13-17-14(19-18-13)11-5-6-11/h1-4,11H,5-8H2,(H,15,16)
InChIKeyMIVTVPJEPMUPEN-UHFFFAOYSA-N
XLogP1.96
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-cyclopropyl-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-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-cyclopropyl-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole (CID 151074609) is 5-cyclopropyl-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole is c1cc(-c2noc(C3CC3)n2)ccc1C1=NCCN1.
What is the InChIKey of 5-cyclopropyl-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole?
The InChIKey is MIVTVPJEPMUPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-3-10(4-2-9(1)12-15-7-8-16-12)13-17-14(19-18-13)11-5-6-11/h1-4,11H,5-8H2,(H,15,16).
What are the key properties of 5-cyclopropyl-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole has a molecular weight of 254.29 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 151074609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).