N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine

C16H22N4O — CID 106962643

IUPACN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(NCC2Cc3ccccc32)o1
InChIInChI=1S/C16H22N4O/c1-3-8-17-11(2)15-19-20-16(21-15)18-10-13-9-12-6-4-5-7-14(12)13/h4-7,11,13,17H,3,8-10H2,1-2H3,(H,18,20)
InChIKeyZMYJTPZMYHBONL-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.88
Rot. Bonds7

About N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106962643) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106962643
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(NCC2Cc3ccccc32)o1
InChIInChI=1S/C16H22N4O/c1-3-8-17-11(2)15-19-20-16(21-15)18-10-13-9-12-6-4-5-7-14(12)13/h4-7,11,13,17H,3,8-10H2,1-2H3,(H,18,20)
InChIKeyZMYJTPZMYHBONL-UHFFFAOYSA-N
XLogP2.88
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine with MolForge

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Related Compounds

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine
CID 106958051
N-(cyclohexylmethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106968919
5-[1-(propylamino)ethyl]-N-(thiolan-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106963106
5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
CID 106967102
N-[(4-ethylphenyl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106967432
N-(2-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106968365
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,3-dimethylbutan-2-amine
CID 115716884
N-(2-bromophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106968064
N-(1-phenylpropyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106960360
5-[1-(propylamino)ethyl]-N-(2,3,3-trimethylbutyl)-1,3,4-oxadiazol-2-amine
CID 106964046
N-[(3-chlorophenyl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106960479
(1S)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-pyridin-4-ylethanamine
CID 81405429

Frequently Asked Questions

What is the IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine (CID 106962643) is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine is CCCNC(C)c1nnc(NCC2Cc3ccccc32)o1.
What is the InChIKey of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is ZMYJTPZMYHBONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-8-17-11(2)15-19-20-16(21-15)18-10-13-9-12-6-4-5-7-14(12)13/h4-7,11,13,17H,3,8-10H2,1-2H3,(H,18,20).
What are the key properties of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 286.38 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106962643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).