5-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2-ethyl-1,3-benzoxazole

C17H19N3O2 — CID 53141117

IUPAC5-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2-ethyl-1,3-benzoxazole
SMILESCCc1nc2cc(-c3noc(C4CCCCC4)n3)ccc2o1
InChIInChI=1S/C17H19N3O2/c1-2-15-18-13-10-12(8-9-14(13)21-15)16-19-17(22-20-16)11-6-4-3-5-7-11/h8-11H,2-7H2,1H3
InChIKeyNUQKUGSWHFBUGP-UHFFFAOYSA-N
MW297.36 g/mol
LogP4.49
Rot. Bonds3

About 5-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2-ethyl-1,3-benzoxazole

5-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2-ethyl-1,3-benzoxazole (PubChem CID 53141117) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2-ethyl-1,3-benzoxazole.

Molecular Properties

Compound Name5-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2-ethyl-1,3-benzoxazole
PubChem CID53141117
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name5-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2-ethyl-1,3-benzoxazole
SMILESCCc1nc2cc(-c3noc(C4CCCCC4)n3)ccc2o1
InChIInChI=1S/C17H19N3O2/c1-2-15-18-13-10-12(8-9-14(13)21-15)16-19-17(22-20-16)11-6-4-3-5-7-11/h8-11H,2-7H2,1H3
InChIKeyNUQKUGSWHFBUGP-UHFFFAOYSA-N
XLogP4.49
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclohexyl-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 957265
5-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-1,3-benzoxazole
CID 53141122
2-ethyl-5-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
CID 53141163
5-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-ethyl-1,3-benzoxazole
CID 53141081
2-ethyl-5-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
CID 53141093
5-cyclobutyl-3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
CID 53010904
5-cyclohexyl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 847024
5-cyclopentyl-3-(3-methoxy-4-prop-2-enoxyphenyl)-1,2,4-oxadiazole
CID 42851452
5-cyclobutyl-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole
CID 53041039
3-(3-chloro-4-fluorophenyl)-5-cyclobutyl-1,2,4-oxadiazole
CID 165487010
1-(2-cyclohexyl-1,3-benzoxazol-5-yl)propan-1-one
CID 82299964
3-(4-ethylphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 43627411

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2-ethyl-1,3-benzoxazole?
The IUPAC name of 5-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2-ethyl-1,3-benzoxazole (CID 53141117) is 5-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2-ethyl-1,3-benzoxazole.
What is the SMILES notation for 5-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2-ethyl-1,3-benzoxazole?
The canonical SMILES for 5-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2-ethyl-1,3-benzoxazole is CCc1nc2cc(-c3noc(C4CCCCC4)n3)ccc2o1.
What is the InChIKey of 5-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2-ethyl-1,3-benzoxazole?
The InChIKey is NUQKUGSWHFBUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-2-15-18-13-10-12(8-9-14(13)21-15)16-19-17(22-20-16)11-6-4-3-5-7-11/h8-11H,2-7H2,1H3.
What are the key properties of 5-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2-ethyl-1,3-benzoxazole?
5-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2-ethyl-1,3-benzoxazole has a molecular weight of 297.36 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2-ethyl-1,3-benzoxazole is sourced from PubChem (CID 53141117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).