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

C14H23N3O — CID 55039883

IUPACN-[[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nnc(CC2CC3CCC2C3)o1
InChIInChI=1S/C14H23N3O/c1-9(2)15-8-14-17-16-13(18-14)7-12-6-10-3-4-11(12)5-10/h9-12,15H,3-8H2,1-2H3
InChIKeyZYEORIQWGWYJGI-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.55
Rot. Bonds5

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

N-[[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine (PubChem CID 55039883) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
PubChem CID55039883
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nnc(CC2CC3CCC2C3)o1
InChIInChI=1S/C14H23N3O/c1-9(2)15-8-14-17-16-13(18-14)7-12-6-10-3-4-11(12)5-10/h9-12,15H,3-8H2,1-2H3
InChIKeyZYEORIQWGWYJGI-UHFFFAOYSA-N
XLogP2.55
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine (CID 55039883) is N-[[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine is CC(C)NCc1nnc(CC2CC3CCC2C3)o1.
What is the InChIKey of N-[[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The InChIKey is ZYEORIQWGWYJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-9(2)15-8-14-17-16-13(18-14)7-12-6-10-3-4-11(12)5-10/h9-12,15H,3-8H2,1-2H3.
What are the key properties of N-[[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
N-[[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine has a molecular weight of 249.36 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 55039883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).