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

C18H16ClN3O — CID 57041673

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

5-(3-chlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2,5-dihydro-1,2-oxazole (PubChem CID 57041673) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2,5-dihydro-1,2-oxazole.

Molecular Properties

• Compound Name: 5-(3-chlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2,5-dihydro-1,2-oxazole
• PubChem CID: 57041673
• Molecular Formula: C18H16ClN3O
• Molecular Weight: 325.80 g/mol
• Exact Mass: 325.10
• IUPAC Name: 5-(3-chlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2,5-dihydro-1,2-oxazole
• SMILES: Clc1cccc(C2C=C(c3ccc(C4=NCCN4)cc3)NO2)c1
• InChI: InChI=1S/C18H16ClN3O/c19-15-3-1-2-14(10-15)17-11-16(22-23-17)12-4-6-13(7-5-12)18-20-8-9-21-18/h1-7,10-11,17,22H,8-9H2,(H,20,21)
• InChIKey: UACPZSGAKCNOHF-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 45.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	325.80
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2,5-dihydro-1,2-oxazole?

The IUPAC name of 5-(3-chlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2,5-dihydro-1,2-oxazole (CID 57041673) is 5-(3-chlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2,5-dihydro-1,2-oxazole.

What is the SMILES notation for 5-(3-chlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2,5-dihydro-1,2-oxazole?

The canonical SMILES for 5-(3-chlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2,5-dihydro-1,2-oxazole is Clc1cccc(C2C=C(c3ccc(C4=NCCN4)cc3)NO2)c1.

What is the InChIKey of 5-(3-chlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2,5-dihydro-1,2-oxazole?

The InChIKey is UACPZSGAKCNOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c19-15-3-1-2-14(10-15)17-11-16(22-23-17)12-4-6-13(7-5-12)18-20-8-9-21-18/h1-7,10-11,17,22H,8-9H2,(H,20,21).

What are the key properties of 5-(3-chlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2,5-dihydro-1,2-oxazole?

5-(3-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-(3-chlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 57041673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).