4-methyl-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine

C13H21N3O2 — CID 65330157

IUPAC4-methyl-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCC1CCC(N)(c2nc(C3CCOC3)no2)CC1
InChIInChI=1S/C13H21N3O2/c1-9-2-5-13(14,6-3-9)12-15-11(16-18-12)10-4-7-17-8-10/h9-10H,2-8,14H2,1H3
InChIKeyVBEJJEGZUOEFQO-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.94
Rot. Bonds2

About 4-methyl-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine

4-methyl-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (PubChem CID 65330157) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-methyl-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
PubChem CID65330157
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-methyl-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCC1CCC(N)(c2nc(C3CCOC3)no2)CC1
InChIInChI=1S/C13H21N3O2/c1-9-2-5-13(14,6-3-9)12-15-11(16-18-12)10-4-7-17-8-10/h9-10H,2-8,14H2,1H3
InChIKeyVBEJJEGZUOEFQO-UHFFFAOYSA-N
XLogP1.94
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine
CID 65353164
1-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65332435
4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 115292613
5-(1,4-dimethylpiperidin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97438471
4-methyl-1-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 80621178
5-(1-amino-4-methylcyclohexyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 115753280
1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine
CID 65466489
5-(3-methylpiperidin-3-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 65330606
1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 65391882
1-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine
CID 79665328
1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-3-methylcyclohexan-1-amine
CID 64981922
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-4-ethylcyclohexan-1-amine
CID 61295067

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of 4-methyl-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (CID 65330157) is 4-methyl-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for 4-methyl-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is CC1CCC(N)(c2nc(C3CCOC3)no2)CC1.
What is the InChIKey of 4-methyl-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The InChIKey is VBEJJEGZUOEFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9-2-5-13(14,6-3-9)12-15-11(16-18-12)10-4-7-17-8-10/h9-10H,2-8,14H2,1H3.
What are the key properties of 4-methyl-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
4-methyl-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine has a molecular weight of 251.33 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 65330157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).