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

C19H21N3O3 — CID 6625029

IUPACN-(4-ethoxyphenyl)-N-ethyl-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine
SMILESCCOc1ccc(N(CC)c2nc(-c3ccc(OC)cc3)no2)cc1
InChIInChI=1S/C19H21N3O3/c1-4-22(15-8-12-17(13-9-15)24-5-2)19-20-18(21-25-19)14-6-10-16(23-3)11-7-14/h6-13H,4-5H2,1-3H3
InChIKeyMSICGQUMUGITIQ-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.30
Rot. Bonds7

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

N-(4-ethoxyphenyl)-N-ethyl-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine (PubChem CID 6625029) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N-ethyl-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N-ethyl-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine
PubChem CID6625029
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-(4-ethoxyphenyl)-N-ethyl-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine
SMILESCCOc1ccc(N(CC)c2nc(-c3ccc(OC)cc3)no2)cc1
InChIInChI=1S/C19H21N3O3/c1-4-22(15-8-12-17(13-9-15)24-5-2)19-20-18(21-25-19)14-6-10-16(23-3)11-7-14/h6-13H,4-5H2,1-3H3
InChIKeyMSICGQUMUGITIQ-UHFFFAOYSA-N
XLogP4.30
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3,5-difluorophenyl)-3-(4-ethoxyphenyl)-1,2,4-oxadiazole
CID 42851412
4-ethoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 78815627
3-(4-ethoxyphenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527903
5-(4-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867105
N-(4-ethoxyphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
CID 20851568
3-(4-ethoxyphenyl)-5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
CID 42585039
5-[(4-fluorophenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 2227874
N-(4-ethoxyphenyl)-N-ethyl-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
CID 20904843
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanethiol
CID 30028427
5-(4-ethoxyphenyl)-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole
CID 4916212
N-(4-ethoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
CID 15989742
5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 18591770

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N-ethyl-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-(4-ethoxyphenyl)-N-ethyl-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine (CID 6625029) is N-(4-ethoxyphenyl)-N-ethyl-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-(4-ethoxyphenyl)-N-ethyl-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-(4-ethoxyphenyl)-N-ethyl-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine is CCOc1ccc(N(CC)c2nc(-c3ccc(OC)cc3)no2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-N-ethyl-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is MSICGQUMUGITIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-4-22(15-8-12-17(13-9-15)24-5-2)19-20-18(21-25-19)14-6-10-16(23-3)11-7-14/h6-13H,4-5H2,1-3H3.
What are the key properties of N-(4-ethoxyphenyl)-N-ethyl-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
N-(4-ethoxyphenyl)-N-ethyl-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 339.40 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N-ethyl-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 6625029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).