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

C14H22N4O — CID 106961284

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESC(NC1CC1)c1nnc(NCC2CC3CCC2C3)o1
InChIInChI=1S/C14H22N4O/c1-2-10-5-9(1)6-11(10)7-16-14-18-17-13(19-14)8-15-12-3-4-12/h9-12,15H,1-8H2,(H,16,18)
InChIKeyJPLRAPDQAHXFGX-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.17
Rot. Bonds6

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

N-(2-bicyclo[2.2.1]heptanylmethyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106961284) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106961284
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESC(NC1CC1)c1nnc(NCC2CC3CCC2C3)o1
InChIInChI=1S/C14H22N4O/c1-2-10-5-9(1)6-11(10)7-16-14-18-17-13(19-14)8-15-12-3-4-12/h9-12,15H,1-8H2,(H,16,18)
InChIKeyJPLRAPDQAHXFGX-UHFFFAOYSA-N
XLogP2.17
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine (CID 106961284) is N-(2-bicyclo[2.2.1]heptanylmethyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine is C(NC1CC1)c1nnc(NCC2CC3CCC2C3)o1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is JPLRAPDQAHXFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-10-5-9(1)6-11(10)7-16-14-18-17-13(19-14)8-15-12-3-4-12/h9-12,15H,1-8H2,(H,16,18).
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 262.36 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106961284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).