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

C13H16ClN3O — CID 63347248

IUPACN-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C13H16ClN3O/c1-3-8-15-9(2)13-16-12(17-18-13)10-4-6-11(14)7-5-10/h4-7,9,15H,3,8H2,1-2H3
InChIKeyDXVSJRVAXOSFFR-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.45
Rot. Bonds5

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

N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine (PubChem CID 63347248) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
PubChem CID63347248
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC NameN-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C13H16ClN3O/c1-3-8-15-9(2)13-16-12(17-18-13)10-4-6-11(14)7-5-10/h4-7,9,15H,3,8H2,1-2H3
InChIKeyDXVSJRVAXOSFFR-UHFFFAOYSA-N
XLogP3.45
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63345393
(1S,2S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 29047795
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63345437
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 63348355
3-(4-chlorophenyl)-5-(diethoxymethyl)-1,2,4-oxadiazole
CID 63773021
(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 93057298
2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine
CID 63560287
N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 60752359
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 63347982
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methanediol
CID 12569996
N-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(methanesulfonamido)propanamide
CID 125163461
N-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 92735234

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine (CID 63347248) is N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine?
The InChIKey is DXVSJRVAXOSFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-3-8-15-9(2)13-16-12(17-18-13)10-4-6-11(14)7-5-10/h4-7,9,15H,3,8H2,1-2H3.
What are the key properties of N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine?
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine has a molecular weight of 265.74 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 63347248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).