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

C18H16ClN3O — CID 57314323

IUPAC5-(4-chlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2,5-dihydro-1,2-oxazole
SMILESClc1ccc(C2C=C(c3ccc(C4=NCCN4)cc3)NO2)cc1
InChIInChI=1S/C18H16ClN3O/c19-15-7-5-13(6-8-15)17-11-16(22-23-17)12-1-3-14(4-2-12)18-20-9-10-21-18/h1-8,11,17,22H,9-10H2,(H,20,21)
InChIKeyOXSCDPBPHICQOL-UHFFFAOYSA-N
MW325.80 g/mol
LogP3.31
Rot. Bonds3

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

5-(4-chlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2,5-dihydro-1,2-oxazole (PubChem CID 57314323) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2,5-dihydro-1,2-oxazole
PubChem CID57314323
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name5-(4-chlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2,5-dihydro-1,2-oxazole
SMILESClc1ccc(C2C=C(c3ccc(C4=NCCN4)cc3)NO2)cc1
InChIInChI=1S/C18H16ClN3O/c19-15-7-5-13(6-8-15)17-11-16(22-23-17)12-1-3-14(4-2-12)18-20-9-10-21-18/h1-8,11,17,22H,9-10H2,(H,20,21)
InChIKeyOXSCDPBPHICQOL-UHFFFAOYSA-N
XLogP3.31
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(4-chlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2,5-dihydro-1,2-oxazole 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

(4-Chloro-phenyl)-[2-(4,5-dihydro-1H-imidazol-2-yl)-phenyl]-methanol
CID 10356694
(4-Chloro-phenyl)-[4-(4,5-dihydro-1H-imidazol-2-yl)-phenyl]-methanol
CID 44353941
3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(3-fluorophenyl)-2,5-dihydro-1,2-oxazole
CID 57062661
3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole
CID 57169019
3-(4-Chlorophenyl)-7-methyl-8,9a-diphenyl-5,6-dihydro-[1,2,4]oxadiazolo[4,5-d][1,4]diazepine
CID 14913498
5-(2,6-dichlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazole
CID 53829210
5-(4-chlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazole
CID 53884436
3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole
CID 53899398
3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole
CID 54117074
5-(3-chlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazole
CID 54568813
5-(3-chlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2,5-dihydro-1,2-oxazole
CID 57041673
3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(2,4-dimethylphenyl)-2,5-dihydro-1,2-oxazole
CID 57111562

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(4-chlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2,5-dihydro-1,2-oxazole (CID 57314323) is 5-(4-chlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(4-chlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(4-chlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2,5-dihydro-1,2-oxazole is Clc1ccc(C2C=C(c3ccc(C4=NCCN4)cc3)NO2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2,5-dihydro-1,2-oxazole?
The InChIKey is OXSCDPBPHICQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c19-15-7-5-13(6-8-15)17-11-16(22-23-17)12-1-3-14(4-2-12)18-20-9-10-21-18/h1-8,11,17,22H,9-10H2,(H,20,21).
What are the key properties of 5-(4-chlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2,5-dihydro-1,2-oxazole?
5-(4-chlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2,5-dihydro-1,2-oxazole has a molecular weight of 325.80 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 57314323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).