5-(4-methoxypyrrolidin-2-yl)-3-(4-propylcyclohexyl)-1,2,4-oxadiazole

C16H27N3O2 — CID 65424805

IUPAC5-(4-methoxypyrrolidin-2-yl)-3-(4-propylcyclohexyl)-1,2,4-oxadiazole
SMILESCCCC1CCC(c2noc(C3CC(OC)CN3)n2)CC1
InChIInChI=1S/C16H27N3O2/c1-3-4-11-5-7-12(8-6-11)15-18-16(21-19-15)14-9-13(20-2)10-17-14/h11-14,17H,3-10H2,1-2H3
InChIKeyRNMQLGBWAYHLBO-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.19
Rot. Bonds5

About 5-(4-methoxypyrrolidin-2-yl)-3-(4-propylcyclohexyl)-1,2,4-oxadiazole

5-(4-methoxypyrrolidin-2-yl)-3-(4-propylcyclohexyl)-1,2,4-oxadiazole (PubChem CID 65424805) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 5-(4-methoxypyrrolidin-2-yl)-3-(4-propylcyclohexyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-methoxypyrrolidin-2-yl)-3-(4-propylcyclohexyl)-1,2,4-oxadiazole
PubChem CID65424805
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name5-(4-methoxypyrrolidin-2-yl)-3-(4-propylcyclohexyl)-1,2,4-oxadiazole
SMILESCCCC1CCC(c2noc(C3CC(OC)CN3)n2)CC1
InChIInChI=1S/C16H27N3O2/c1-3-4-11-5-7-12(8-6-11)15-18-16(21-19-15)14-9-13(20-2)10-17-14/h11-14,17H,3-10H2,1-2H3
InChIKeyRNMQLGBWAYHLBO-UHFFFAOYSA-N
XLogP3.19
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-3-(4-methylcyclohexyl)-1,2,4-oxadiazole
CID 103467010
5-(4-methoxypyrrolidin-2-yl)-3-(3-methylcyclopentyl)-1,2,4-oxadiazole
CID 65401220
3-(4-propylcyclohexyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
CID 82905254
5-piperidin-4-yl-3-(4-propylcyclohexyl)-1,2,4-oxadiazole
CID 65425392
3-(3-ethyl-1,4-dithian-2-yl)-5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-1,2,4-oxadiazole
CID 103467098
5-(4-methoxypyrrolidin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 82008218
5-[(2R,4R)-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride
CID 86775507
5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazole
CID 103467097
5-(4-methoxypyrrolidin-2-yl)-3-(propylsulfanylmethyl)-1,2,4-oxadiazole
CID 65130222
3-(1,4-dimethyl-1,4-diazepan-2-yl)-5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-1,2,4-oxadiazole
CID 103467104
3-cyclopropyl-5-[(2S,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride
CID 69197928
ethyl 5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxylate
CID 112631467

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxypyrrolidin-2-yl)-3-(4-propylcyclohexyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-methoxypyrrolidin-2-yl)-3-(4-propylcyclohexyl)-1,2,4-oxadiazole (CID 65424805) is 5-(4-methoxypyrrolidin-2-yl)-3-(4-propylcyclohexyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-methoxypyrrolidin-2-yl)-3-(4-propylcyclohexyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-methoxypyrrolidin-2-yl)-3-(4-propylcyclohexyl)-1,2,4-oxadiazole is CCCC1CCC(c2noc(C3CC(OC)CN3)n2)CC1.
What is the InChIKey of 5-(4-methoxypyrrolidin-2-yl)-3-(4-propylcyclohexyl)-1,2,4-oxadiazole?
The InChIKey is RNMQLGBWAYHLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-4-11-5-7-12(8-6-11)15-18-16(21-19-15)14-9-13(20-2)10-17-14/h11-14,17H,3-10H2,1-2H3.
What are the key properties of 5-(4-methoxypyrrolidin-2-yl)-3-(4-propylcyclohexyl)-1,2,4-oxadiazole?
5-(4-methoxypyrrolidin-2-yl)-3-(4-propylcyclohexyl)-1,2,4-oxadiazole has a molecular weight of 293.41 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxypyrrolidin-2-yl)-3-(4-propylcyclohexyl)-1,2,4-oxadiazole is sourced from PubChem (CID 65424805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).