1-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine

C15H21N3O2 — CID 62857282

IUPAC1-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1nnc(-c2ccc(OCC)cc2)o1
InChIInChI=1S/C15H21N3O2/c1-4-13(16-5-2)15-18-17-14(20-15)11-7-9-12(10-8-11)19-6-3/h7-10,13,16H,4-6H2,1-3H3
InChIKeyLZFSMZSMASPYMR-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.20
Rot. Bonds7

About 1-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine

1-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine (PubChem CID 62857282) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
PubChem CID62857282
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1nnc(-c2ccc(OCC)cc2)o1
InChIInChI=1S/C15H21N3O2/c1-4-13(16-5-2)15-18-17-14(20-15)11-7-9-12(10-8-11)19-6-3/h7-10,13,16H,4-6H2,1-3H3
InChIKeyLZFSMZSMASPYMR-UHFFFAOYSA-N
XLogP3.20
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 62857111
N-ethyl-1-[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 114822856
1-[5-(3-bromo-4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 107993123
4-ethoxy-N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline
CID 25357173
N-ethyl-1-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)propan-1-amine
CID 62858258
N-ethyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propan-1-amine
CID 55124400
2-(4-chlorophenyl)-5-(4-ethoxyphenyl)-1,3,4-oxadiazole
CID 866005
4-[5-[1-(ethylamino)propyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
CID 114039886
1-[5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 55124209
N-ethyl-1-[5-(2-iodophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62858439
N-ethyl-1-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 63023235
2-(4-ethoxyphenyl)-5-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]-1,3,4-oxadiazole
CID 47073142

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine (CID 62857282) is 1-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine is CCNC(CC)c1nnc(-c2ccc(OCC)cc2)o1.
What is the InChIKey of 1-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine?
The InChIKey is LZFSMZSMASPYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-13(16-5-2)15-18-17-14(20-15)11-7-9-12(10-8-11)19-6-3/h7-10,13,16H,4-6H2,1-3H3.
What are the key properties of 1-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine?
1-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine has a molecular weight of 275.35 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine is sourced from PubChem (CID 62857282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).