1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(oxan-2-yloxy)ethyl]cyclohexan-1-amine

C16H27N3O3 — CID 127838387

IUPAC1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(oxan-2-yloxy)ethyl]cyclohexan-1-amine
SMILESCc1nc(C2(NCCOC3CCCCO3)CCCCC2)no1
InChIInChI=1S/C16H27N3O3/c1-13-18-15(19-22-13)16(8-4-2-5-9-16)17-10-12-21-14-7-3-6-11-20-14/h14,17H,2-12H2,1H3
InChIKeyKIUDQHRPYYIIPT-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.67
Rot. Bonds6

About 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(oxan-2-yloxy)ethyl]cyclohexan-1-amine

1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(oxan-2-yloxy)ethyl]cyclohexan-1-amine (PubChem CID 127838387) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(oxan-2-yloxy)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(oxan-2-yloxy)ethyl]cyclohexan-1-amine
PubChem CID127838387
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(oxan-2-yloxy)ethyl]cyclohexan-1-amine
SMILESCc1nc(C2(NCCOC3CCCCO3)CCCCC2)no1
InChIInChI=1S/C16H27N3O3/c1-13-18-15(19-22-13)16(8-4-2-5-9-16)17-10-12-21-14-7-3-6-11-20-14/h14,17H,2-12H2,1H3
InChIKeyKIUDQHRPYYIIPT-UHFFFAOYSA-N
XLogP2.67
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]ethoxy]propanenitrile
CID 138993644
3-cyclohexyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide
CID 43045493
N-(2-cyclohexylsulfanylethyl)-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 154795040
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]cyclopentanecarboxamide
CID 35781179
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propane-1-sulfonamide
CID 47405513
N-ethyl-2-(oxan-2-yloxy)ethanamine
CID 14435554
N-[3-(2-chlorophenyl)sulfanylpropyl]-1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 56509111
3-cyclohexyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]butanamide
CID 139001034
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]methanesulfonamide
CID 47180721
2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]acetamide
CID 166403701
methyl 3-methyl-5-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]methyl]furan-2-carboxylate
CID 71935847

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(oxan-2-yloxy)ethyl]cyclohexan-1-amine?
The IUPAC name of 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(oxan-2-yloxy)ethyl]cyclohexan-1-amine (CID 127838387) is 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(oxan-2-yloxy)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(oxan-2-yloxy)ethyl]cyclohexan-1-amine?
The canonical SMILES for 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(oxan-2-yloxy)ethyl]cyclohexan-1-amine is Cc1nc(C2(NCCOC3CCCCO3)CCCCC2)no1.
What is the InChIKey of 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(oxan-2-yloxy)ethyl]cyclohexan-1-amine?
The InChIKey is KIUDQHRPYYIIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-13-18-15(19-22-13)16(8-4-2-5-9-16)17-10-12-21-14-7-3-6-11-20-14/h14,17H,2-12H2,1H3.
What are the key properties of 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(oxan-2-yloxy)ethyl]cyclohexan-1-amine?
1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(oxan-2-yloxy)ethyl]cyclohexan-1-amine has a molecular weight of 309.41 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(oxan-2-yloxy)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 127838387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).