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

C15H25N3O3 — CID 116781300

IUPAC2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1c1nc(C2(OC)CCOCC2)no1
InChIInChI=1S/C15H25N3O3/c1-16-12-6-4-3-5-11(12)13-17-14(18-21-13)15(19-2)7-9-20-10-8-15/h11-12,16H,3-10H2,1-2H3
InChIKeyFYFXCLSGWYPCRC-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.97
Rot. Bonds4

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

2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine (PubChem CID 116781300) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
PubChem CID116781300
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1c1nc(C2(OC)CCOCC2)no1
InChIInChI=1S/C15H25N3O3/c1-16-12-6-4-3-5-11(12)13-17-14(18-21-13)15(19-2)7-9-20-10-8-15/h11-12,16H,3-10H2,1-2H3
InChIKeyFYFXCLSGWYPCRC-UHFFFAOYSA-N
XLogP1.97
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine
CID 106474680
[2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 116742134
N-ethyl-2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 116733049
N-methyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 80681119
4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine
CID 104612006
2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
CID 116744092
N-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 65334735
3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-amine
CID 116742083
N-methyl-3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 106474581
3-(4-methoxyoxan-4-yl)-5-[(2S)-6-(2-methylbutan-2-yl)spiro[2.5]octan-2-yl]-1,2,4-oxadiazole
CID 164637253
[2-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 116743214
5-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]oxolane-2-carboxylic acid
CID 102689978

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine?
The IUPAC name of 2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine (CID 116781300) is 2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine is CNC1CCCCC1c1nc(C2(OC)CCOCC2)no1.
What is the InChIKey of 2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine?
The InChIKey is FYFXCLSGWYPCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-16-12-6-4-3-5-11(12)13-17-14(18-21-13)15(19-2)7-9-20-10-8-15/h11-12,16H,3-10H2,1-2H3.
What are the key properties of 2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine?
2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine has a molecular weight of 295.38 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 116781300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).