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

C16H16N4O2 — CID 110652939

IUPACN-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-4-ylmethanamine
SMILESCOc1ccc(-c2nnc(CNCc3ccncc3)o2)cc1
InChIInChI=1S/C16H16N4O2/c1-21-14-4-2-13(3-5-14)16-20-19-15(22-16)11-18-10-12-6-8-17-9-7-12/h2-9,18H,10-11H2,1H3
InChIKeyJUXYLHSIROUVRL-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.43
Rot. Bonds6

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

N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-4-ylmethanamine (PubChem CID 110652939) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound NameN-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-4-ylmethanamine
PubChem CID110652939
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-4-ylmethanamine
SMILESCOc1ccc(-c2nnc(CNCc3ccncc3)o2)cc1
InChIInChI=1S/C16H16N4O2/c1-21-14-4-2-13(3-5-14)16-20-19-15(22-16)11-18-10-12-6-8-17-9-7-12/h2-9,18H,10-11H2,1H3
InChIKeyJUXYLHSIROUVRL-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

1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine;hydrobromide
CID 156593877
N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-3-ylmethanamine
CID 110652765
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanol
CID 3041371
2-(methoxymethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 67274190
1-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 18870633
N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridin-2-amine
CID 155812298
2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 55044345
N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylaniline
CID 110652972
2-(4-methoxyphenyl)-5-(pyridin-4-ylmethylamino)-1,3-oxazole-4-carbonitrile
CID 17012723
2-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 43513285
N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-phenoxyaniline
CID 110653037
2-(3-methoxyphenyl)-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 92599497

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-4-ylmethanamine?
The IUPAC name of N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-4-ylmethanamine (CID 110652939) is N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-4-ylmethanamine.
What is the SMILES notation for N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-4-ylmethanamine?
The canonical SMILES for N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-4-ylmethanamine is COc1ccc(-c2nnc(CNCc3ccncc3)o2)cc1.
What is the InChIKey of N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-4-ylmethanamine?
The InChIKey is JUXYLHSIROUVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-21-14-4-2-13(3-5-14)16-20-19-15(22-16)11-18-10-12-6-8-17-9-7-12/h2-9,18H,10-11H2,1H3.
What are the key properties of N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-4-ylmethanamine?
N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-4-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-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 110652939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).