3-(3-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]-1,2,4-oxadiazol-5-amine

C16H16N4O2 — CID 133319455

IUPAC3-(3-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]-1,2,4-oxadiazol-5-amine
SMILESCOc1cccc(-c2noc(NCc3cccc(C)n3)n2)c1
InChIInChI=1S/C16H16N4O2/c1-11-5-3-7-13(18-11)10-17-16-19-15(20-22-16)12-6-4-8-14(9-12)21-2/h3-9H,10H2,1-2H3,(H,17,19,20)
InChIKeyWSJGLBDZGDAGKK-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.06
Rot. Bonds5

About 3-(3-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]-1,2,4-oxadiazol-5-amine

3-(3-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]-1,2,4-oxadiazol-5-amine (PubChem CID 133319455) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]-1,2,4-oxadiazol-5-amine
PubChem CID133319455
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name3-(3-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]-1,2,4-oxadiazol-5-amine
SMILESCOc1cccc(-c2noc(NCc3cccc(C)n3)n2)c1
InChIInChI=1S/C16H16N4O2/c1-11-5-3-7-13(18-11)10-17-16-19-15(20-22-16)12-6-4-8-14(9-12)21-2/h3-9H,10H2,1-2H3,(H,17,19,20)
InChIKeyWSJGLBDZGDAGKK-UHFFFAOYSA-N
XLogP3.06
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 46342235
N-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342231
3-(3-methoxyphenyl)-N-(3-methylbutyl)-1,2,4-oxadiazol-5-amine
CID 46342240
3-(3-methoxyphenyl)-N-[(4-pyridin-3-ylphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 133332822
methyl N-[4-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]carbamate
CID 133317526
N-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 71686712
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342229
N-[(4-methoxyphenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine
CID 46342000
N-[3-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]butanamide
CID 133317401
(1R)-1-[1-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]cyclopropyl]-2-methylpropan-1-ol
CID 97258783
3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 20952768
N-cycloheptyl-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342228

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(3-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]-1,2,4-oxadiazol-5-amine (CID 133319455) is 3-(3-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(3-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]-1,2,4-oxadiazol-5-amine is COc1cccc(-c2noc(NCc3cccc(C)n3)n2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]-1,2,4-oxadiazol-5-amine?
The InChIKey is WSJGLBDZGDAGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-11-5-3-7-13(18-11)10-17-16-19-15(20-22-16)12-6-4-8-14(9-12)21-2/h3-9H,10H2,1-2H3,(H,17,19,20).
What are the key properties of 3-(3-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]-1,2,4-oxadiazol-5-amine?
3-(3-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]-1,2,4-oxadiazol-5-amine has a molecular weight of 296.33 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 133319455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).