1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine

C15H26N4O — CID 106828772

IUPAC1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine
SMILESCC1(c2nc(C(N)CN3CCCC3)no2)CCCCC1
InChIInChI=1S/C15H26N4O/c1-15(7-3-2-4-8-15)14-17-13(18-20-14)12(16)11-19-9-5-6-10-19/h12H,2-11,16H2,1H3
InChIKeyKEZCRVIHDCKXIZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.39
Rot. Bonds4

About 1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine

1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine (PubChem CID 106828772) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine
PubChem CID106828772
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine
SMILESCC1(c2nc(C(N)CN3CCCC3)no2)CCCCC1
InChIInChI=1S/C15H26N4O/c1-15(7-3-2-4-8-15)14-17-13(18-20-14)12(16)11-19-9-5-6-10-19/h12H,2-11,16H2,1H3
InChIKeyKEZCRVIHDCKXIZ-UHFFFAOYSA-N
XLogP2.39
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(2-methylthiolan-2-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine
CID 104636043
1-(5-methyl-1,2,4-oxadiazol-3-yl)-2-piperidin-1-ylethanamine
CID 104635946
1-(5-butan-2-yl-1,2,4-oxadiazol-3-yl)-2-piperidin-1-ylethanamine
CID 113435612
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-piperidin-1-ylethanamine
CID 104635994
1-[5-(1-methylcyclopentyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634646
1-(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)-2-pyrrolidin-1-ylethanamine
CID 104635871
1-(5-ethoxy-1,2,4-oxadiazol-3-yl)-2-pyrrolidin-1-ylethanamine
CID 104635764
1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine
CID 104636055
3-(1-chloropropyl)-5-(1-methylcyclohexyl)-1,2,4-oxadiazole
CID 106827745
3-(1-chloroethyl)-5-(1-methylcyclopentyl)-1,2,4-oxadiazole
CID 102661074
1-(5-heptan-4-yl-1,2,4-oxadiazol-3-yl)-2-pyrrolidin-1-ylethanamine
CID 104635935
2-[5-(1-methylcyclobutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 131154498

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine?
The IUPAC name of 1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine (CID 106828772) is 1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for 1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for 1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine is CC1(c2nc(C(N)CN3CCCC3)no2)CCCCC1.
What is the InChIKey of 1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine?
The InChIKey is KEZCRVIHDCKXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-15(7-3-2-4-8-15)14-17-13(18-20-14)12(16)11-19-9-5-6-10-19/h12H,2-11,16H2,1H3.
What are the key properties of 1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine?
1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine has a molecular weight of 278.40 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 106828772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).