3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-prop-2-enylpyridin-2-amine

C17H16N4O2 — CID 46265210

IUPAC3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-prop-2-enylpyridin-2-amine
SMILESC=CCNc1ncccc1-c1nc(-c2ccc(OC)cc2)no1
InChIInChI=1S/C17H16N4O2/c1-3-10-18-16-14(5-4-11-19-16)17-20-15(21-23-17)12-6-8-13(22-2)9-7-12/h3-9,11H,1,10H2,2H3,(H,18,19)
InChIKeyRTGPJJLWSXRMTG-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.41
Rot. Bonds6

About 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-prop-2-enylpyridin-2-amine

3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-prop-2-enylpyridin-2-amine (PubChem CID 46265210) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-prop-2-enylpyridin-2-amine.

Molecular Properties

Compound Name3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-prop-2-enylpyridin-2-amine
PubChem CID46265210
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-prop-2-enylpyridin-2-amine
SMILESC=CCNc1ncccc1-c1nc(-c2ccc(OC)cc2)no1
InChIInChI=1S/C17H16N4O2/c1-3-10-18-16-14(5-4-11-19-16)17-20-15(21-23-17)12-6-8-13(22-2)9-7-12/h3-9,11H,1,10H2,2H3,(H,18,19)
InChIKeyRTGPJJLWSXRMTG-UHFFFAOYSA-N
XLogP3.41
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 23613814
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyridin-2-amine
CID 23613832
N-butyl-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 46265224
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 43514779
5-(2-bromophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 752271
N-(cyclopropylmethyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
CID 87050158
3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 155941527
3-(4-methoxyphenyl)-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 912387
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methyl-2-pyridinyl)butanamide
CID 55650824
2-(4-methoxyphenyl)-N-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 3425643
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]hexanamide
CID 30333369
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide
CID 3267440

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-prop-2-enylpyridin-2-amine?
The IUPAC name of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-prop-2-enylpyridin-2-amine (CID 46265210) is 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-prop-2-enylpyridin-2-amine.
What is the SMILES notation for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-prop-2-enylpyridin-2-amine?
The canonical SMILES for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-prop-2-enylpyridin-2-amine is C=CCNc1ncccc1-c1nc(-c2ccc(OC)cc2)no1.
What is the InChIKey of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-prop-2-enylpyridin-2-amine?
The InChIKey is RTGPJJLWSXRMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-3-10-18-16-14(5-4-11-19-16)17-20-15(21-23-17)12-6-8-13(22-2)9-7-12/h3-9,11H,1,10H2,2H3,(H,18,19).
What are the key properties of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-prop-2-enylpyridin-2-amine?
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-prop-2-enylpyridin-2-amine has a molecular weight of 308.34 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-prop-2-enylpyridin-2-amine is sourced from PubChem (CID 46265210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).