3-(4-chlorophenyl)-N,N-dipropyl-1,2,4-oxadiazol-5-amine

C14H18ClN3O — CID 123812806

IUPAC3-(4-chlorophenyl)-N,N-dipropyl-1,2,4-oxadiazol-5-amine
SMILESCCCN(CCC)c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C14H18ClN3O/c1-3-9-18(10-4-2)14-16-13(17-19-14)11-5-7-12(15)8-6-11/h5-8H,3-4,9-10H2,1-2H3
InChIKeyBZICOMUOQLCCJA-UHFFFAOYSA-N
MW279.77 g/mol
LogP4.02
Rot. Bonds6

About 3-(4-chlorophenyl)-N,N-dipropyl-1,2,4-oxadiazol-5-amine

3-(4-chlorophenyl)-N,N-dipropyl-1,2,4-oxadiazol-5-amine (PubChem CID 123812806) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N,N-dipropyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N,N-dipropyl-1,2,4-oxadiazol-5-amine
PubChem CID123812806
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name3-(4-chlorophenyl)-N,N-dipropyl-1,2,4-oxadiazol-5-amine
SMILESCCCN(CCC)c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C14H18ClN3O/c1-3-9-18(10-4-2)14-16-13(17-19-14)11-5-7-12(15)8-6-11/h5-8H,3-4,9-10H2,1-2H3
InChIKeyBZICOMUOQLCCJA-UHFFFAOYSA-N
XLogP4.02
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 63347248
3-(4-chlorophenyl)-5-methyl-1,2,4-oxadiazole
CID 684002
3-(4-chlorophenyl)-5-pentadecyl-1,2,4-oxadiazole
CID 24848734
(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 93057298
5-(bromomethyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 59402660
3-(4-chlorophenyl)-5-(diethoxymethyl)-1,2,4-oxadiazole
CID 63773021
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylazanium
CID 7385191
(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
5-chloro-3-(4-ethylphenyl)-1,2,4-oxadiazole
CID 60984935
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63345393
3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]propanoic acid;hydrochloride
CID 119912219

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N,N-dipropyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(4-chlorophenyl)-N,N-dipropyl-1,2,4-oxadiazol-5-amine (CID 123812806) is 3-(4-chlorophenyl)-N,N-dipropyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N,N-dipropyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N,N-dipropyl-1,2,4-oxadiazol-5-amine is CCCN(CCC)c1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 3-(4-chlorophenyl)-N,N-dipropyl-1,2,4-oxadiazol-5-amine?
The InChIKey is BZICOMUOQLCCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-3-9-18(10-4-2)14-16-13(17-19-14)11-5-7-12(15)8-6-11/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-N,N-dipropyl-1,2,4-oxadiazol-5-amine?
3-(4-chlorophenyl)-N,N-dipropyl-1,2,4-oxadiazol-5-amine has a molecular weight of 279.77 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N,N-dipropyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 123812806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).