4-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-N-methyloxolan-3-amine

C13H21N3O2 — CID 66237641

IUPAC4-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-N-methyloxolan-3-amine
SMILESCNC1COCC1c1nc(C2CCCCC2)no1
InChIInChI=1S/C13H21N3O2/c1-14-11-8-17-7-10(11)13-15-12(16-18-13)9-5-3-2-4-6-9/h9-11,14H,2-8H2,1H3
InChIKeyDXYVIEUSEJINNQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.82
Rot. Bonds3

About 4-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-N-methyloxolan-3-amine

4-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-N-methyloxolan-3-amine (PubChem CID 66237641) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-N-methyloxolan-3-amine.

Molecular Properties

Compound Name4-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-N-methyloxolan-3-amine
PubChem CID66237641
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-N-methyloxolan-3-amine
SMILESCNC1COCC1c1nc(C2CCCCC2)no1
InChIInChI=1S/C13H21N3O2/c1-14-11-8-17-7-10(11)13-15-12(16-18-13)9-5-3-2-4-6-9/h9-11,14H,2-8H2,1H3
InChIKeyDXYVIEUSEJINNQ-UHFFFAOYSA-N
XLogP1.82
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-N-methyloxolan-3-amine?
The IUPAC name of 4-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-N-methyloxolan-3-amine (CID 66237641) is 4-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-N-methyloxolan-3-amine.
What is the SMILES notation for 4-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-N-methyloxolan-3-amine?
The canonical SMILES for 4-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-N-methyloxolan-3-amine is CNC1COCC1c1nc(C2CCCCC2)no1.
What is the InChIKey of 4-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-N-methyloxolan-3-amine?
The InChIKey is DXYVIEUSEJINNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-14-11-8-17-7-10(11)13-15-12(16-18-13)9-5-3-2-4-6-9/h9-11,14H,2-8H2,1H3.
What are the key properties of 4-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-N-methyloxolan-3-amine?
4-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-N-methyloxolan-3-amine has a molecular weight of 251.33 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-N-methyloxolan-3-amine is sourced from PubChem (CID 66237641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).