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

C15H20ClN3O2 — CID 62857114

IUPAC1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1nnc(COc2cccc(Cl)c2)o1
InChIInChI=1S/C15H20ClN3O2/c1-3-8-17-13(4-2)15-19-18-14(21-15)10-20-12-7-5-6-11(16)9-12/h5-7,9,13,17H,3-4,8,10H2,1-2H3
InChIKeyFVHNPFJSZFFDDG-UHFFFAOYSA-N
MW309.80 g/mol
LogP3.75
Rot. Bonds8

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

1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine (PubChem CID 62857114) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
PubChem CID62857114
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1nnc(COc2cccc(Cl)c2)o1
InChIInChI=1S/C15H20ClN3O2/c1-3-8-17-13(4-2)15-19-18-14(21-15)10-20-12-7-5-6-11(16)9-12/h5-7,9,13,17H,3-4,8,10H2,1-2H3
InChIKeyFVHNPFJSZFFDDG-UHFFFAOYSA-N
XLogP3.75
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62229836
1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62229658
2-[(3-chlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 110655988
1-[5-[1-(3-chlorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 62858428
1-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62858269
1-(3-chlorophenoxy)-3-ethyl-N-propylpentan-2-amine
CID 105168543
N-[1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 60887619
1-[5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62857789
1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-propylpropan-1-amine
CID 60888596
2-[(3-chlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 110655637
N-[2-(3-chlorophenoxy)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 107361780
1-[5-(2-chloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 81461547

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The IUPAC name of 1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine (CID 62857114) is 1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine is CCCNC(CC)c1nnc(COc2cccc(Cl)c2)o1.
What is the InChIKey of 1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The InChIKey is FVHNPFJSZFFDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-3-8-17-13(4-2)15-19-18-14(21-15)10-20-12-7-5-6-11(16)9-12/h5-7,9,13,17H,3-4,8,10H2,1-2H3.
What are the key properties of 1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine has a molecular weight of 309.80 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 62857114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).