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

C14H18ClN3O2 — CID 62229836

IUPACN-[1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnc(COc2cccc(Cl)c2)o1
InChIInChI=1S/C14H18ClN3O2/c1-3-7-16-10(2)14-18-17-13(20-14)9-19-12-6-4-5-11(15)8-12/h4-6,8,10,16H,3,7,9H2,1-2H3
InChIKeyJQBUOJINHXZKHD-UHFFFAOYSA-N
MW295.77 g/mol
LogP3.36
Rot. Bonds7

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

N-[1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine (PubChem CID 62229836) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is N-[1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
PubChem CID62229836
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC NameN-[1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnc(COc2cccc(Cl)c2)o1
InChIInChI=1S/C14H18ClN3O2/c1-3-7-16-10(2)14-18-17-13(20-14)9-19-12-6-4-5-11(15)8-12/h4-6,8,10,16H,3,7,9H2,1-2H3
InChIKeyJQBUOJINHXZKHD-UHFFFAOYSA-N
XLogP3.36
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 53.36
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-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62229658
N-[1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 60887619
2-[(3-chlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 110655988
N-[1-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62163061
N-[1-(3-chlorophenyl)ethyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106971201
1-(3-chlorophenoxy)-3-ethyl-N-propylpentan-2-amine
CID 105168543
N-[(3-chlorophenyl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106960479
2-[(3-chlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 110655637
N-[1-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62162718
N-[3-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 62229477
2-(1-chloroethyl)-5-[(3,4-dimethylphenoxy)methyl]-1,3,4-oxadiazole
CID 82045111

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine (CID 62229836) is N-[1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine is CCCNC(C)c1nnc(COc2cccc(Cl)c2)o1.
What is the InChIKey of N-[1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The InChIKey is JQBUOJINHXZKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-3-7-16-10(2)14-18-17-13(20-14)9-19-12-6-4-5-11(15)8-12/h4-6,8,10,16H,3,7,9H2,1-2H3.
What are the key properties of N-[1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
N-[1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine has a molecular weight of 295.77 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 62229836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).