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

C15H20ClN3O2 — CID 62858428

IUPAC1-[5-[1-(3-chlorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1nnc(C(C)Oc2cccc(Cl)c2)o1
InChIInChI=1S/C15H20ClN3O2/c1-4-13(17-5-2)15-19-18-14(21-15)10(3)20-12-8-6-7-11(16)9-12/h6-10,13,17H,4-5H2,1-3H3
InChIKeyYZVCTHBGEXXCEK-UHFFFAOYSA-N
MW309.80 g/mol
LogP3.92
Rot. Bonds7

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

1-[5-[1-(3-chlorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine (PubChem CID 62858428) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 1-[5-[1-(3-chlorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[5-[1-(3-chlorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
PubChem CID62858428
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name1-[5-[1-(3-chlorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1nnc(C(C)Oc2cccc(Cl)c2)o1
InChIInChI=1S/C15H20ClN3O2/c1-4-13(17-5-2)15-19-18-14(21-15)10(3)20-12-8-6-7-11(16)9-12/h6-10,13,17H,4-5H2,1-3H3
InChIKeyYZVCTHBGEXXCEK-UHFFFAOYSA-N
XLogP3.92
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62857114
1-[5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120865529
3-bromo-5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazole
CID 112571524
2-[1-(3-chlorophenoxy)ethyl]-5-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,3,4-oxadiazole
CID 167978172
N-tert-butyl-2-(3-chlorophenoxy)butan-1-amine
CID 62460087
N-[1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62229836
3-(3-chlorophenoxy)-N-ethyl-1-phenylbutan-2-amine
CID 105084432
4-(3-chlorophenoxy)-N-ethyl-2-methylpent-1-en-3-amine
CID 105163546
1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62229658
1-(3-chlorophenyl)-N-ethyl-3-methylpentan-1-amine
CID 63412580
2-(3-chlorophenoxy)-1-(4-chlorophenyl)-N-ethylethanamine
CID 105076148
2-(3-chlorophenoxy)-1-cyclopentyl-N-ethylpropan-1-amine
CID 105080697

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(3-chlorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[5-[1-(3-chlorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine (CID 62858428) is 1-[5-[1-(3-chlorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[5-[1-(3-chlorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[5-[1-(3-chlorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine is CCNC(CC)c1nnc(C(C)Oc2cccc(Cl)c2)o1.
What is the InChIKey of 1-[5-[1-(3-chlorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine?
The InChIKey is YZVCTHBGEXXCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-4-13(17-5-2)15-19-18-14(21-15)10(3)20-12-8-6-7-11(16)9-12/h6-10,13,17H,4-5H2,1-3H3.
What are the key properties of 1-[5-[1-(3-chlorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine?
1-[5-[1-(3-chlorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine has a molecular weight of 309.80 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(3-chlorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine is sourced from PubChem (CID 62858428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).