4-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-2-(2-methyl-1H-imidazol-5-yl)-1,3-oxazole

C19H18ClN5O — CID 69046525

IUPAC4-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-2-(2-methyl-1H-imidazol-5-yl)-1,3-oxazole
SMILESCc1ncc(-c2nc(-c3ccc(Cl)cc3)c(CCCn3ccnc3)o2)[nH]1
InChIInChI=1S/C19H18ClN5O/c1-13-22-11-16(23-13)19-24-18(14-4-6-15(20)7-5-14)17(26-19)3-2-9-25-10-8-21-12-25/h4-8,10-12H,2-3,9H2,1H3,(H,22,23)
InChIKeyUTJRQIXZTCQHJC-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.52
Rot. Bonds6

About 4-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-2-(2-methyl-1H-imidazol-5-yl)-1,3-oxazole

4-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-2-(2-methyl-1H-imidazol-5-yl)-1,3-oxazole (PubChem CID 69046525) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-2-(2-methyl-1H-imidazol-5-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-2-(2-methyl-1H-imidazol-5-yl)-1,3-oxazole
PubChem CID69046525
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC Name4-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-2-(2-methyl-1H-imidazol-5-yl)-1,3-oxazole
SMILESCc1ncc(-c2nc(-c3ccc(Cl)cc3)c(CCCn3ccnc3)o2)[nH]1
InChIInChI=1S/C19H18ClN5O/c1-13-22-11-16(23-13)19-24-18(14-4-6-15(20)7-5-14)17(26-19)3-2-9-25-10-8-21-12-25/h4-8,10-12H,2-3,9H2,1H3,(H,22,23)
InChIKeyUTJRQIXZTCQHJC-UHFFFAOYSA-N
XLogP4.52
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-2-(2-methyl-1H-imidazol-5-yl)-1,3-oxazole?
The IUPAC name of 4-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-2-(2-methyl-1H-imidazol-5-yl)-1,3-oxazole (CID 69046525) is 4-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-2-(2-methyl-1H-imidazol-5-yl)-1,3-oxazole.
What is the SMILES notation for 4-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-2-(2-methyl-1H-imidazol-5-yl)-1,3-oxazole?
The canonical SMILES for 4-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-2-(2-methyl-1H-imidazol-5-yl)-1,3-oxazole is Cc1ncc(-c2nc(-c3ccc(Cl)cc3)c(CCCn3ccnc3)o2)[nH]1.
What is the InChIKey of 4-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-2-(2-methyl-1H-imidazol-5-yl)-1,3-oxazole?
The InChIKey is UTJRQIXZTCQHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O/c1-13-22-11-16(23-13)19-24-18(14-4-6-15(20)7-5-14)17(26-19)3-2-9-25-10-8-21-12-25/h4-8,10-12H,2-3,9H2,1H3,(H,22,23).
What are the key properties of 4-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-2-(2-methyl-1H-imidazol-5-yl)-1,3-oxazole?
4-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-2-(2-methyl-1H-imidazol-5-yl)-1,3-oxazole has a molecular weight of 367.84 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-2-(2-methyl-1H-imidazol-5-yl)-1,3-oxazole is sourced from PubChem (CID 69046525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).