1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine

C13H21N3O3 — CID 65353164

IUPAC1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)(c2nc(C3COCCO3)no2)CC1
InChIInChI=1S/C13H21N3O3/c1-9-2-4-13(14,5-3-9)12-15-11(16-19-12)10-8-17-6-7-18-10/h9-10H,2-8,14H2,1H3
InChIKeyKKNKWMNNXVFDPS-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.52
Rot. Bonds2

About 1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine

1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine (PubChem CID 65353164) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine
PubChem CID65353164
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)(c2nc(C3COCCO3)no2)CC1
InChIInChI=1S/C13H21N3O3/c1-9-2-4-13(14,5-3-9)12-15-11(16-19-12)10-8-17-6-7-18-10/h9-10H,2-8,14H2,1H3
InChIKeyKKNKWMNNXVFDPS-UHFFFAOYSA-N
XLogP1.52
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine with MolForge

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Related Compounds

4-methyl-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65330157
1-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine
CID 79665328
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-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65332435
4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 116742423
4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 115292613
1-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine
CID 79666735
1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
CID 81162273
1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
CID 81161835
N-cyclopropyl-3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-amine
CID 65351537
1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine
CID 107501890

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine?
The IUPAC name of 1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine (CID 65353164) is 1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine is CC1CCC(N)(c2nc(C3COCCO3)no2)CC1.
What is the InChIKey of 1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine?
The InChIKey is KKNKWMNNXVFDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9-2-4-13(14,5-3-9)12-15-11(16-19-12)10-8-17-6-7-18-10/h9-10H,2-8,14H2,1H3.
What are the key properties of 1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine?
1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine has a molecular weight of 267.33 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 65353164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).