3-(4-methoxyphenyl)-N-(2-methylphenyl)-1,2,4-oxadiazol-5-amine

C16H15N3O2 — CID 20881484

IUPAC3-(4-methoxyphenyl)-N-(2-methylphenyl)-1,2,4-oxadiazol-5-amine
SMILESCOc1ccc(-c2noc(Nc3ccccc3C)n2)cc1
InChIInChI=1S/C16H15N3O2/c1-11-5-3-4-6-14(11)17-16-18-15(19-21-16)12-7-9-13(20-2)10-8-12/h3-10H,1-2H3,(H,17,18,19)
InChIKeyKEFFLDMFLMFIGV-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.80
Rot. Bonds4

About 3-(4-methoxyphenyl)-N-(2-methylphenyl)-1,2,4-oxadiazol-5-amine

3-(4-methoxyphenyl)-N-(2-methylphenyl)-1,2,4-oxadiazol-5-amine (PubChem CID 20881484) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(2-methylphenyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(2-methylphenyl)-1,2,4-oxadiazol-5-amine
PubChem CID20881484
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name3-(4-methoxyphenyl)-N-(2-methylphenyl)-1,2,4-oxadiazol-5-amine
SMILESCOc1ccc(-c2noc(Nc3ccccc3C)n2)cc1
InChIInChI=1S/C16H15N3O2/c1-11-5-3-4-6-14(11)17-16-18-15(19-21-16)12-7-9-13(20-2)10-8-12/h3-10H,1-2H3,(H,17,18,19)
InChIKeyKEFFLDMFLMFIGV-UHFFFAOYSA-N
XLogP3.80
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate
CID 20881451
N-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 71686701
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 43514779
N-[(4-methoxyphenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine
CID 46342000
4-(4-methoxyphenyl)-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 853927
1-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]phenyl]ethanone
CID 20952694
4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylaniline
CID 155374553
ethyl 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate
CID 20881472
5-(4-methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 5152913
3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-amine
CID 46342115
N-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 71686712
2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]-N-(2-methylphenyl)acetamide
CID 38176839

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(2-methylphenyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(4-methoxyphenyl)-N-(2-methylphenyl)-1,2,4-oxadiazol-5-amine (CID 20881484) is 3-(4-methoxyphenyl)-N-(2-methylphenyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(2-methylphenyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(2-methylphenyl)-1,2,4-oxadiazol-5-amine is COc1ccc(-c2noc(Nc3ccccc3C)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(2-methylphenyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is KEFFLDMFLMFIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-5-3-4-6-14(11)17-16-18-15(19-21-16)12-7-9-13(20-2)10-8-12/h3-10H,1-2H3,(H,17,18,19).
What are the key properties of 3-(4-methoxyphenyl)-N-(2-methylphenyl)-1,2,4-oxadiazol-5-amine?
3-(4-methoxyphenyl)-N-(2-methylphenyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 281.31 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(2-methylphenyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 20881484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).