N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine

C16H20N4O — CID 43675545

IUPACN-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESCc1nnc(-c2ccccc2NC2CN3CCC2CC3)o1
InChIInChI=1S/C16H20N4O/c1-11-18-19-16(21-11)13-4-2-3-5-14(13)17-15-10-20-8-6-12(15)7-9-20/h2-5,12,15,17H,6-10H2,1H3
InChIKeyKUDXJYRJNPWNON-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.55
Rot. Bonds3

About N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine

N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 43675545) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID43675545
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESCc1nnc(-c2ccccc2NC2CN3CCC2CC3)o1
InChIInChI=1S/C16H20N4O/c1-11-18-19-16(21-11)13-4-2-3-5-14(13)17-15-10-20-8-6-12(15)7-9-20/h2-5,12,15,17H,6-10H2,1H3
InChIKeyKUDXJYRJNPWNON-UHFFFAOYSA-N
XLogP2.55
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine with MolForge

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Related Compounds

N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thian-4-amine
CID 43675543
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-benzoxazol-3-amine
CID 134495827
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-benzoxazol-3-amine;hydrochloride
CID 134495882
N-(2-ethylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121623
1-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbenzene-1,2-diamine
CID 114041152
N-(2-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121544
N-(2-propylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43687475
N-(2-pyrrolidin-1-ylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43684279
3-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-methylbenzamide
CID 43694209
3-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43708005
methyl 2-(1-azabicyclo[2.2.2]octan-3-ylamino)benzoate
CID 43321974
5-(1-azabicyclo[2.2.2]octan-3-ylamino)naphthalen-1-ol
CID 43743060

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine (CID 43675545) is N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine is Cc1nnc(-c2ccccc2NC2CN3CCC2CC3)o1.
What is the InChIKey of N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is KUDXJYRJNPWNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-18-19-16(21-11)13-4-2-3-5-14(13)17-15-10-20-8-6-12(15)7-9-20/h2-5,12,15,17H,6-10H2,1H3.
What are the key properties of N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine?
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 284.36 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 43675545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).