5-[(4-chlorophenoxy)methyl]-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole

C19H17ClN4O2 — CID 53030938

IUPAC5-[(4-chlorophenoxy)methyl]-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole
SMILESCCCn1cnc2cc(-c3noc(COc4ccc(Cl)cc4)n3)ccc21
InChIInChI=1S/C19H17ClN4O2/c1-2-9-24-12-21-16-10-13(3-8-17(16)24)19-22-18(26-23-19)11-25-15-6-4-14(20)5-7-15/h3-8,10,12H,2,9,11H2,1H3
InChIKeyGSEVWGFPDLEVNH-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.73
Rot. Bonds6

About 5-[(4-chlorophenoxy)methyl]-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole

5-[(4-chlorophenoxy)methyl]-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole (PubChem CID 53030938) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 5-[(4-chlorophenoxy)methyl]-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-chlorophenoxy)methyl]-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole
PubChem CID53030938
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name5-[(4-chlorophenoxy)methyl]-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole
SMILESCCCn1cnc2cc(-c3noc(COc4ccc(Cl)cc4)n3)ccc21
InChIInChI=1S/C19H17ClN4O2/c1-2-9-24-12-21-16-10-13(3-8-17(16)24)19-22-18(26-23-19)11-25-15-6-4-14(20)5-7-15/h3-8,10,12H,2,9,11H2,1H3
InChIKeyGSEVWGFPDLEVNH-UHFFFAOYSA-N
XLogP4.73
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-[5-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 53031753
5-(4-ethoxyphenyl)-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030936
7-[5-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-4-propyl-1H-quinoxaline-2,3-dione
CID 50777497
5-[(4-fluorophenyl)methyl]-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030926
5-(4-chlorophenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030877
5-(2-fluorophenyl)-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030953
6-[5-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-4-propyl-1,4-benzoxazin-3-one
CID 53127156
5-(3-chloro-4-fluorophenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030909
2-(4-chlorophenyl)-N-[[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 22586334
[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117330229
3-(4-chlorophenyl)-5-[(4-nitrophenoxy)methyl]-1,2,4-oxadiazole
CID 3899279
5-[5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole
CID 53141067

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenoxy)methyl]-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-chlorophenoxy)methyl]-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole (CID 53030938) is 5-[(4-chlorophenoxy)methyl]-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-chlorophenoxy)methyl]-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-chlorophenoxy)methyl]-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole is CCCn1cnc2cc(-c3noc(COc4ccc(Cl)cc4)n3)ccc21.
What is the InChIKey of 5-[(4-chlorophenoxy)methyl]-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is GSEVWGFPDLEVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-2-9-24-12-21-16-10-13(3-8-17(16)24)19-22-18(26-23-19)11-25-15-6-4-14(20)5-7-15/h3-8,10,12H,2,9,11H2,1H3.
What are the key properties of 5-[(4-chlorophenoxy)methyl]-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole?
5-[(4-chlorophenoxy)methyl]-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 368.82 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenoxy)methyl]-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 53030938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).