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

C16H16N4O2 — CID 110652765

IUPACN-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-3-ylmethanamine
SMILESCOc1cccc(-c2nnc(CNCc3cccnc3)o2)c1
InChIInChI=1S/C16H16N4O2/c1-21-14-6-2-5-13(8-14)16-20-19-15(22-16)11-18-10-12-4-3-7-17-9-12/h2-9,18H,10-11H2,1H3
InChIKeyQRVHXPKHFZSESY-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.43
Rot. Bonds6

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

N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-3-ylmethanamine (PubChem CID 110652765) 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-3-ylmethanamine.

Molecular Properties

Compound NameN-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-3-ylmethanamine
PubChem CID110652765
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-3-ylmethanamine
SMILESCOc1cccc(-c2nnc(CNCc3cccnc3)o2)c1
InChIInChI=1S/C16H16N4O2/c1-21-14-6-2-5-13(8-14)16-20-19-15(22-16)11-18-10-12-4-3-7-17-9-12/h2-9,18H,10-11H2,1H3
InChIKeyQRVHXPKHFZSESY-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-2-ylmethanamine
CID 110652764
1-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 62139034
2-(3-methoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 25054364
2-(4-chlorophenyl)-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 110652780
N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-4-ylmethanamine
CID 110652939
N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-pyridin-3-ylmethanamine
CID 56810052
3-(3-methoxyphenyl)-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide
CID 110408609
2-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 110653671
4-tert-butyl-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652825
2-methoxy-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652841
3,5-dimethoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318682

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-3-ylmethanamine?
The IUPAC name of N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-3-ylmethanamine (CID 110652765) is N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-3-ylmethanamine is COc1cccc(-c2nnc(CNCc3cccnc3)o2)c1.
What is the InChIKey of N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-3-ylmethanamine?
The InChIKey is QRVHXPKHFZSESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-21-14-6-2-5-13(8-14)16-20-19-15(22-16)11-18-10-12-4-3-7-17-9-12/h2-9,18H,10-11H2,1H3.
What are the key properties of N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-3-ylmethanamine?
N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-3-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-3-ylmethanamine is sourced from PubChem (CID 110652765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).