(1S)-1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine

C14H25N3O2 — CID 104901859

IUPAC(1S)-1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
SMILESCCOC1(c2noc([C@@H](N)C(C)C)n2)CCCCC1
InChIInChI=1S/C14H25N3O2/c1-4-18-14(8-6-5-7-9-14)13-16-12(19-17-13)11(15)10(2)3/h10-11H,4-9,15H2,1-3H3/t11-/m0/s1
InChIKeyBYQDBTKZIVECPP-NSHDSACASA-N
MW267.37 g/mol
LogP2.92
Rot. Bonds5

About (1S)-1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine

(1S)-1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine (PubChem CID 104901859) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is (1S)-1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name(1S)-1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
PubChem CID104901859
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name(1S)-1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
SMILESCCOC1(c2noc([C@@H](N)C(C)C)n2)CCCCC1
InChIInChI=1S/C14H25N3O2/c1-4-18-14(8-6-5-7-9-14)13-16-12(19-17-13)11(15)10(2)3/h10-11H,4-9,15H2,1-3H3/t11-/m0/s1
InChIKeyBYQDBTKZIVECPP-NSHDSACASA-N
XLogP2.92
TPSA74.17 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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 116741836
1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 116741965
2-[3-(1-ethoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 116781437
1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 116741506
3-amino-3-[3-(1-ethoxycycloheptyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 116743355
1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 116741461
1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 116741786
3-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine
CID 116781197
3-amino-1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837325
(1S)-1-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900379
1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
CID 116781245
(1S)-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901861

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine?
The IUPAC name of (1S)-1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine (CID 104901859) is (1S)-1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine.
What is the SMILES notation for (1S)-1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine?
The canonical SMILES for (1S)-1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine is CCOC1(c2noc([C@@H](N)C(C)C)n2)CCCCC1.
What is the InChIKey of (1S)-1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine?
The InChIKey is BYQDBTKZIVECPP-NSHDSACASA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-18-14(8-6-5-7-9-14)13-16-12(19-17-13)11(15)10(2)3/h10-11H,4-9,15H2,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine?
(1S)-1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 104901859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).