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

C14H25N3O2 — CID 116733636

IUPAC2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
SMILESCCOC(C)(C)c1noc(C2CCCCC2NC)n1
InChIInChI=1S/C14H25N3O2/c1-5-18-14(2,3)13-16-12(19-17-13)10-8-6-7-9-11(10)15-4/h10-11,15H,5-9H2,1-4H3
InChIKeyPYUFLKNGGAZSMD-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.59
Rot. Bonds5

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

2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine (PubChem CID 116733636) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
PubChem CID116733636
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
SMILESCCOC(C)(C)c1noc(C2CCCCC2NC)n1
InChIInChI=1S/C14H25N3O2/c1-5-18-14(2,3)13-16-12(19-17-13)10-8-6-7-9-11(10)15-4/h10-11,15H,5-9H2,1-4H3
InChIKeyPYUFLKNGGAZSMD-UHFFFAOYSA-N
XLogP2.59
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine?
The IUPAC name of 2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine (CID 116733636) is 2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine is CCOC(C)(C)c1noc(C2CCCCC2NC)n1.
What is the InChIKey of 2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine?
The InChIKey is PYUFLKNGGAZSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-5-18-14(2,3)13-16-12(19-17-13)10-8-6-7-9-11(10)15-4/h10-11,15H,5-9H2,1-4H3.
What are the key properties of 2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine?
2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 116733636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).