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

C17H17N3O2 — CID 71686701

IUPACN-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine
SMILESCCc1ccc(Nc2nc(-c3ccc(OC)cc3)no2)cc1
InChIInChI=1S/C17H17N3O2/c1-3-12-4-8-14(9-5-12)18-17-19-16(20-22-17)13-6-10-15(21-2)11-7-13/h4-11H,3H2,1-2H3,(H,18,19,20)
InChIKeyXLYYNRCTBIPNFP-UHFFFAOYSA-N
MW295.34 g/mol
LogP4.05
Rot. Bonds5

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

N-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine (PubChem CID 71686701) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine
PubChem CID71686701
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine
SMILESCCc1ccc(Nc2nc(-c3ccc(OC)cc3)no2)cc1
InChIInChI=1S/C17H17N3O2/c1-3-12-4-8-14(9-5-12)18-17-19-16(20-22-17)13-6-10-15(21-2)11-7-13/h4-11H,3H2,1-2H3,(H,18,19,20)
InChIKeyXLYYNRCTBIPNFP-UHFFFAOYSA-N
XLogP4.05
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate
CID 20881472
3-(3,4-dimethoxyphenyl)-N-[(4-ethylphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 46342168
3-(4-methoxyphenyl)-N-(2-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 20881484
N-[(4-methoxyphenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine
CID 46342000
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 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate
CID 20881451
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propylaniline
CID 112796906
1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(4-methoxyphenyl)urea
CID 50778323
ethyl 4-[[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate
CID 20952719
5-chloro-3-(4-ethylphenyl)-1,2,4-oxadiazole
CID 60984935
3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-amine
CID 46342115

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine (CID 71686701) is N-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine is CCc1ccc(Nc2nc(-c3ccc(OC)cc3)no2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is XLYYNRCTBIPNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-3-12-4-8-14(9-5-12)18-17-19-16(20-22-17)13-6-10-15(21-2)11-7-13/h4-11H,3H2,1-2H3,(H,18,19,20).
What are the key properties of N-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
N-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 295.34 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 71686701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).