3-(4-ethylcyclohexyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole

C17H29N3O — CID 65393679

IUPAC3-(4-ethylcyclohexyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(C3CCC(CC)CC3)no2)CCNC1
InChIInChI=1S/C17H29N3O/c1-3-9-17(10-11-18-12-17)16-19-15(20-21-16)14-7-5-13(4-2)6-8-14/h13-14,18H,3-12H2,1-2H3
InChIKeyGGRIVHBNMNFDPY-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.78
Rot. Bonds5

About 3-(4-ethylcyclohexyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole

3-(4-ethylcyclohexyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole (PubChem CID 65393679) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-(4-ethylcyclohexyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-ethylcyclohexyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
PubChem CID65393679
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name3-(4-ethylcyclohexyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(C3CCC(CC)CC3)no2)CCNC1
InChIInChI=1S/C17H29N3O/c1-3-9-17(10-11-18-12-17)16-19-15(20-21-16)14-7-5-13(4-2)6-8-14/h13-14,18H,3-12H2,1-2H3
InChIKeyGGRIVHBNMNFDPY-UHFFFAOYSA-N
XLogP3.78
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63145228
3-cyclopropyl-5-(4-ethylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63126024
3-(oxan-4-yl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
CID 65329250
3-methyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 55220676
3-ethyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63144433
5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-amine
CID 65415962
3-(2-methylcyclopropyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 65421668
3-(3-methylcyclohexyl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63125853
[1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine
CID 113312330
3-(3-methylbutyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 55165950
3-phenyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63144177
3-(1-ethoxybutyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 116702435

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylcyclohexyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-ethylcyclohexyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole (CID 65393679) is 3-(4-ethylcyclohexyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-ethylcyclohexyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-ethylcyclohexyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole is CCCC1(c2nc(C3CCC(CC)CC3)no2)CCNC1.
What is the InChIKey of 3-(4-ethylcyclohexyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is GGRIVHBNMNFDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-3-9-17(10-11-18-12-17)16-19-15(20-21-16)14-7-5-13(4-2)6-8-14/h13-14,18H,3-12H2,1-2H3.
What are the key properties of 3-(4-ethylcyclohexyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole?
3-(4-ethylcyclohexyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 291.44 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylcyclohexyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 65393679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).