5-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine

C16H16N4O — CID 63154285

IUPAC5-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESCc1cc(C)cc(Cc2noc(-c3cncc(N)c3)n2)c1
InChIInChI=1S/C16H16N4O/c1-10-3-11(2)5-12(4-10)6-15-19-16(21-20-15)13-7-14(17)9-18-8-13/h3-5,7-9H,6,17H2,1-2H3
InChIKeyZXJWGILOIHCWPR-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.92
Rot. Bonds3

About 5-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine

5-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine (PubChem CID 63154285) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
PubChem CID63154285
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name5-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESCc1cc(C)cc(Cc2noc(-c3cncc(N)c3)n2)c1
InChIInChI=1S/C16H16N4O/c1-10-3-11(2)5-12(4-10)6-15-19-16(21-20-15)13-7-14(17)9-18-8-13/h3-5,7-9H,6,17H2,1-2H3
InChIKeyZXJWGILOIHCWPR-UHFFFAOYSA-N
XLogP2.92
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 63154328
5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 63892343
5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 63154240
5-[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 114329296
2-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104786429
5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 55165620
4-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile
CID 136770677
[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methanol
CID 63758819
3-chloro-4-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 62330603
5-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811636
5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 116743136
5-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 102949662

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The IUPAC name of 5-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine (CID 63154285) is 5-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine.
What is the SMILES notation for 5-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The canonical SMILES for 5-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine is Cc1cc(C)cc(Cc2noc(-c3cncc(N)c3)n2)c1.
What is the InChIKey of 5-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The InChIKey is ZXJWGILOIHCWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-10-3-11(2)5-12(4-10)6-15-19-16(21-20-15)13-7-14(17)9-18-8-13/h3-5,7-9H,6,17H2,1-2H3.
What are the key properties of 5-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
5-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine has a molecular weight of 280.33 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 63154285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).