1-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine

C15H25N3O — CID 62858266

IUPAC1-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1nnc(CC2CC3CCC2C3)o1
InChIInChI=1S/C15H25N3O/c1-3-13(16-4-2)15-18-17-14(19-15)9-12-8-10-5-6-11(12)7-10/h10-13,16H,3-9H2,1-2H3
InChIKeyRPNFOZACSBSVJD-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.11
Rot. Bonds6

About 1-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine

1-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine (PubChem CID 62858266) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
PubChem CID62858266
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1nnc(CC2CC3CCC2C3)o1
InChIInChI=1S/C15H25N3O/c1-3-13(16-4-2)15-18-17-14(19-15)9-12-8-10-5-6-11(12)7-10/h10-13,16H,3-9H2,1-2H3
InChIKeyRPNFOZACSBSVJD-UHFFFAOYSA-N
XLogP3.11
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine with MolForge

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Related Compounds

1-[5-(1-cyclopropylethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 83148615
(E)-3-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,3,4-oxadiazol-2-yl]prop-2-enoic acid
CID 81257541
2-(2-bicyclo[2.2.1]heptanyl)-1-(1,3-diethylpyrazol-5-yl)-N-ethylethanamine
CID 105167871
N-ethyl-1-[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 55124679
2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 105012701
2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 79561636
2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine
CID 103302763
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,6-dichlorophenyl)-N-ethylethanamine
CID 105012664
1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-N-ethylpentan-2-amine
CID 116717001
N-ethyl-1-[5-(3-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62858603
1-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62857634
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-3,5-dimethylphenyl)-N-ethylethanamine
CID 114330715

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine (CID 62858266) is 1-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine is CCNC(CC)c1nnc(CC2CC3CCC2C3)o1.
What is the InChIKey of 1-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine?
The InChIKey is RPNFOZACSBSVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-13(16-4-2)15-18-17-14(19-15)9-12-8-10-5-6-11(12)7-10/h10-13,16H,3-9H2,1-2H3.
What are the key properties of 1-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine?
1-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine is sourced from PubChem (CID 62858266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).