3-(1-ethoxy-4-methylcyclohexyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine

C14H25N3O3 — CID 116778323

IUPAC3-(1-ethoxy-4-methylcyclohexyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
SMILESCCOC1(c2noc(NCCOC)n2)CCC(C)CC1
InChIInChI=1S/C14H25N3O3/c1-4-19-14(7-5-11(2)6-8-14)12-16-13(20-17-12)15-9-10-18-3/h11H,4-10H2,1-3H3,(H,15,16,17)
InChIKeyHPKVKKGTMGIMSD-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.57
Rot. Bonds7

About 3-(1-ethoxy-4-methylcyclohexyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine

3-(1-ethoxy-4-methylcyclohexyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine (PubChem CID 116778323) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-(1-ethoxy-4-methylcyclohexyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(1-ethoxy-4-methylcyclohexyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
PubChem CID116778323
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name3-(1-ethoxy-4-methylcyclohexyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
SMILESCCOC1(c2noc(NCCOC)n2)CCC(C)CC1
InChIInChI=1S/C14H25N3O3/c1-4-19-14(7-5-11(2)6-8-14)12-16-13(20-17-12)15-9-10-18-3/h11H,4-10H2,1-3H3,(H,15,16,17)
InChIKeyHPKVKKGTMGIMSD-UHFFFAOYSA-N
XLogP2.57
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.57
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-(1-ethoxy-4-methylcyclohexyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 116782401
1-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 116742600
N-[[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116742591
3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazole-5-carbaldehyde
CID 116780415
[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]hydrazine
CID 116778355
N-[[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-yn-1-amine
CID 116742654
N-cyclopropyl-3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-amine
CID 116778278
3-(1-ethoxy-4-methylcyclohexyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 116742659
2-[[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine
CID 116742645
N-[[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]butan-2-amine
CID 116742661
N-cyclopropyl-3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-amine
CID 116778277
4-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 116781736

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxy-4-methylcyclohexyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(1-ethoxy-4-methylcyclohexyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine (CID 116778323) is 3-(1-ethoxy-4-methylcyclohexyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(1-ethoxy-4-methylcyclohexyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(1-ethoxy-4-methylcyclohexyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine is CCOC1(c2noc(NCCOC)n2)CCC(C)CC1.
What is the InChIKey of 3-(1-ethoxy-4-methylcyclohexyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is HPKVKKGTMGIMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-4-19-14(7-5-11(2)6-8-14)12-16-13(20-17-12)15-9-10-18-3/h11H,4-10H2,1-3H3,(H,15,16,17).
What are the key properties of 3-(1-ethoxy-4-methylcyclohexyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine?
3-(1-ethoxy-4-methylcyclohexyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 283.37 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxy-4-methylcyclohexyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 116778323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).