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

C20H20ClN5O — CID 70342301

IUPAC4-(4-chlorophenyl)-5-[4-(1H-imidazol-2-yl)butyl]-2-(2-methylimidazol-1-yl)-1,3-oxazole
SMILESCc1nccn1-c1nc(-c2ccc(Cl)cc2)c(CCCCc2ncc[nH]2)o1
InChIInChI=1S/C20H20ClN5O/c1-14-22-12-13-26(14)20-25-19(15-6-8-16(21)9-7-15)17(27-20)4-2-3-5-18-23-10-11-24-18/h6-13H,2-5H2,1H3,(H,23,24)
InChIKeyUTCJYASQDQMGGM-UHFFFAOYSA-N
MW381.87 g/mol
LogP4.78
Rot. Bonds7

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

4-(4-chlorophenyl)-5-[4-(1H-imidazol-2-yl)butyl]-2-(2-methylimidazol-1-yl)-1,3-oxazole (PubChem CID 70342301) has the molecular formula C20H20ClN5O and a molecular weight of 381.87 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-[4-(1H-imidazol-2-yl)butyl]-2-(2-methylimidazol-1-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-[4-(1H-imidazol-2-yl)butyl]-2-(2-methylimidazol-1-yl)-1,3-oxazole
PubChem CID70342301
Molecular FormulaC20H20ClN5O
Molecular Weight381.87 g/mol
Exact Mass381.14
IUPAC Name4-(4-chlorophenyl)-5-[4-(1H-imidazol-2-yl)butyl]-2-(2-methylimidazol-1-yl)-1,3-oxazole
SMILESCc1nccn1-c1nc(-c2ccc(Cl)cc2)c(CCCCc2ncc[nH]2)o1
InChIInChI=1S/C20H20ClN5O/c1-14-22-12-13-26(14)20-25-19(15-6-8-16(21)9-7-15)17(27-20)4-2-3-5-18-23-10-11-24-18/h6-13H,2-5H2,1H3,(H,23,24)
InChIKeyUTCJYASQDQMGGM-UHFFFAOYSA-N
XLogP4.78
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-[4-(1H-imidazol-2-yl)butyl]-2-(2-methylimidazol-1-yl)-1,3-oxazole?
The IUPAC name of 4-(4-chlorophenyl)-5-[4-(1H-imidazol-2-yl)butyl]-2-(2-methylimidazol-1-yl)-1,3-oxazole (CID 70342301) is 4-(4-chlorophenyl)-5-[4-(1H-imidazol-2-yl)butyl]-2-(2-methylimidazol-1-yl)-1,3-oxazole.
What is the SMILES notation for 4-(4-chlorophenyl)-5-[4-(1H-imidazol-2-yl)butyl]-2-(2-methylimidazol-1-yl)-1,3-oxazole?
The canonical SMILES for 4-(4-chlorophenyl)-5-[4-(1H-imidazol-2-yl)butyl]-2-(2-methylimidazol-1-yl)-1,3-oxazole is Cc1nccn1-c1nc(-c2ccc(Cl)cc2)c(CCCCc2ncc[nH]2)o1.
What is the InChIKey of 4-(4-chlorophenyl)-5-[4-(1H-imidazol-2-yl)butyl]-2-(2-methylimidazol-1-yl)-1,3-oxazole?
The InChIKey is UTCJYASQDQMGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O/c1-14-22-12-13-26(14)20-25-19(15-6-8-16(21)9-7-15)17(27-20)4-2-3-5-18-23-10-11-24-18/h6-13H,2-5H2,1H3,(H,23,24).
What are the key properties of 4-(4-chlorophenyl)-5-[4-(1H-imidazol-2-yl)butyl]-2-(2-methylimidazol-1-yl)-1,3-oxazole?
4-(4-chlorophenyl)-5-[4-(1H-imidazol-2-yl)butyl]-2-(2-methylimidazol-1-yl)-1,3-oxazole has a molecular weight of 381.87 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-[4-(1H-imidazol-2-yl)butyl]-2-(2-methylimidazol-1-yl)-1,3-oxazole is sourced from PubChem (CID 70342301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).