1-(2,4-dichlorophenyl)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine

C18H17Cl2N3O — CID 78819544

IUPAC1-(2,4-dichlorophenyl)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
SMILESCC(NC(C)c1ccc(Cl)cc1Cl)c1nc(-c2ccccc2)no1
InChIInChI=1S/C18H17Cl2N3O/c1-11(15-9-8-14(19)10-16(15)20)21-12(2)18-22-17(23-24-18)13-6-4-3-5-7-13/h3-12,21H,1-2H3
InChIKeySCWNCVLWNKPPEI-UHFFFAOYSA-N
MW362.26 g/mol
LogP5.46
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine

1-(2,4-dichlorophenyl)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine (PubChem CID 78819544) has the molecular formula C18H17Cl2N3O and a molecular weight of 362.26 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
PubChem CID78819544
Molecular FormulaC18H17Cl2N3O
Molecular Weight362.26 g/mol
Exact Mass361.07
IUPAC Name1-(2,4-dichlorophenyl)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
SMILESCC(NC(C)c1ccc(Cl)cc1Cl)c1nc(-c2ccccc2)no1
InChIInChI=1S/C18H17Cl2N3O/c1-11(15-9-8-14(19)10-16(15)20)21-12(2)18-22-17(23-24-18)13-6-4-3-5-7-13/h3-12,21H,1-2H3
InChIKeySCWNCVLWNKPPEI-UHFFFAOYSA-N
XLogP5.46
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.26
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-1-pyridin-3-ylethanamine
CID 43193785
N-[1-(2,4-dichlorophenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46508453
N-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 92735234
1-(2-chlorophenyl)-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 86922549
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethyl]-2,6-di(propan-2-yl)aniline
CID 58933167
(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol
CID 66264576
N-[1-(2,4-dichlorophenyl)ethyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 24501907
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 63347248
2-(4-chlorophenoxy)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 91634959
3-chloro-N-[(4-chlorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 73050832
N-[1-(2,4-dichlorophenyl)ethyl]pyrimidin-2-amine
CID 43080819
3-(2,4-dichlorophenyl)-5-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-4-amine
CID 55443370

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine (CID 78819544) is 1-(2,4-dichlorophenyl)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine is CC(NC(C)c1ccc(Cl)cc1Cl)c1nc(-c2ccccc2)no1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
The InChIKey is SCWNCVLWNKPPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O/c1-11(15-9-8-14(19)10-16(15)20)21-12(2)18-22-17(23-24-18)13-6-4-3-5-7-13/h3-12,21H,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
1-(2,4-dichlorophenyl)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine has a molecular weight of 362.26 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 78819544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).