5-(3-ethylpyrrolidin-3-yl)-3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazole

C16H27N3O2 — CID 116742440

IUPAC5-(3-ethylpyrrolidin-3-yl)-3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazole
SMILESCCC1(c2nc(C3(OC)CCC(C)CC3)no2)CCNC1
InChIInChI=1S/C16H27N3O2/c1-4-15(9-10-17-11-15)14-18-13(19-21-14)16(20-3)7-5-12(2)6-8-16/h12,17H,4-11H2,1-3H3
InChIKeyWCONFWRGOCBELC-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.76
Rot. Bonds4

About 5-(3-ethylpyrrolidin-3-yl)-3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazole

5-(3-ethylpyrrolidin-3-yl)-3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazole (PubChem CID 116742440) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 5-(3-ethylpyrrolidin-3-yl)-3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-ethylpyrrolidin-3-yl)-3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazole
PubChem CID116742440
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name5-(3-ethylpyrrolidin-3-yl)-3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazole
SMILESCCC1(c2nc(C3(OC)CCC(C)CC3)no2)CCNC1
InChIInChI=1S/C16H27N3O2/c1-4-15(9-10-17-11-15)14-18-13(19-21-14)16(20-3)7-5-12(2)6-8-16/h12,17H,4-11H2,1-3H3
InChIKeyWCONFWRGOCBELC-UHFFFAOYSA-N
XLogP2.76
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-ethoxycyclohexyl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 116741864
4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 116742423
3-cyclopentyl-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63145228
3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-amine
CID 116742455
5-(azetidin-3-ylmethyl)-3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazole
CID 116742421
2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 116742448
5-(3-ethylpyrrolidin-3-yl)-3-(methylsulfanylmethyl)-1,2,4-oxadiazole
CID 63145108
3-(1-methoxy-4-methylcyclohexyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 116742483
3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743686
(1R)-1-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565597
N-cyclopropyl-3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-amine
CID 116778277
3-(1-ethoxy-3-methylcyclohexyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 116742892

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylpyrrolidin-3-yl)-3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-ethylpyrrolidin-3-yl)-3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazole (CID 116742440) is 5-(3-ethylpyrrolidin-3-yl)-3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-ethylpyrrolidin-3-yl)-3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-ethylpyrrolidin-3-yl)-3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazole is CCC1(c2nc(C3(OC)CCC(C)CC3)no2)CCNC1.
What is the InChIKey of 5-(3-ethylpyrrolidin-3-yl)-3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazole?
The InChIKey is WCONFWRGOCBELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-4-15(9-10-17-11-15)14-18-13(19-21-14)16(20-3)7-5-12(2)6-8-16/h12,17H,4-11H2,1-3H3.
What are the key properties of 5-(3-ethylpyrrolidin-3-yl)-3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazole?
5-(3-ethylpyrrolidin-3-yl)-3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazole has a molecular weight of 293.41 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylpyrrolidin-3-yl)-3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazole is sourced from PubChem (CID 116742440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).