N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-2-ylmethanamine

C16H16N4O2 — CID 110652764

IUPACN-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-2-ylmethanamine
SMILESCOc1cccc(-c2nnc(CNCc3ccccn3)o2)c1
InChIInChI=1S/C16H16N4O2/c1-21-14-7-4-5-12(9-14)16-20-19-15(22-16)11-17-10-13-6-2-3-8-18-13/h2-9,17H,10-11H2,1H3
InChIKeyCFDDRSWJHIMENC-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.43
Rot. Bonds6

About N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-2-ylmethanamine

N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-2-ylmethanamine (PubChem CID 110652764) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound NameN-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-2-ylmethanamine
PubChem CID110652764
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-2-ylmethanamine
SMILESCOc1cccc(-c2nnc(CNCc3ccccn3)o2)c1
InChIInChI=1S/C16H16N4O2/c1-21-14-7-4-5-12(9-14)16-20-19-15(22-16)11-17-10-13-6-2-3-8-18-13/h2-9,17H,10-11H2,1H3
InChIKeyCFDDRSWJHIMENC-UHFFFAOYSA-N
XLogP2.43
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62136683
N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-3-ylmethanamine
CID 110652765
1-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 62139034
2-methoxy-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652841
2-(4-chlorophenyl)-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 110652780
4-tert-butyl-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652825
2-(3-chloropropyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 39356122
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-2-ylethanamine
CID 60647502
2,6-dimethoxy-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110320005
2-(cyclohexen-1-yl)-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 110652740
2-[(3-ethoxyphenoxy)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 110655825
2-[(2-bromophenoxy)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 110655809

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-2-ylmethanamine?
The IUPAC name of N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-2-ylmethanamine (CID 110652764) is N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-2-ylmethanamine.
What is the SMILES notation for N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-2-ylmethanamine?
The canonical SMILES for N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-2-ylmethanamine is COc1cccc(-c2nnc(CNCc3ccccn3)o2)c1.
What is the InChIKey of N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-2-ylmethanamine?
The InChIKey is CFDDRSWJHIMENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-21-14-7-4-5-12(9-14)16-20-19-15(22-16)11-17-10-13-6-2-3-8-18-13/h2-9,17H,10-11H2,1H3.
What are the key properties of N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-2-ylmethanamine?
N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-2-ylmethanamine has a molecular weight of 296.33 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 110652764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).