2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-en-1-amine

C15H17Cl2N3O — CID 78826611

IUPAC2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-en-1-amine
SMILESC=C(Cl)CN(CCC)Cc1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C15H17Cl2N3O/c1-3-8-20(9-11(2)16)10-14-18-19-15(21-14)12-6-4-5-7-13(12)17/h4-7H,2-3,8-10H2,1H3
InChIKeyLOFVRBWITZGOID-UHFFFAOYSA-N
MW326.23 g/mol
LogP4.35
Rot. Bonds7

About 2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-en-1-amine

2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-en-1-amine (PubChem CID 78826611) has the molecular formula C15H17Cl2N3O and a molecular weight of 326.23 g/mol. Its IUPAC name is 2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-en-1-amine
PubChem CID78826611
Molecular FormulaC15H17Cl2N3O
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-en-1-amine
SMILESC=C(Cl)CN(CCC)Cc1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C15H17Cl2N3O/c1-3-8-20(9-11(2)16)10-14-18-19-15(21-14)12-6-4-5-7-13(12)17/h4-7H,2-3,8-10H2,1H3
InChIKeyLOFVRBWITZGOID-UHFFFAOYSA-N
XLogP4.35
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetate
CID 78825656
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(4-cyanophenyl)acetamide
CID 112800914
N-(tert-butylcarbamoyl)-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 78825504
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 78825331
N-(benzylcarbamoyl)-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 78825550
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 78825031
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2-methyl-3-nitrophenyl)acetamide
CID 78825285
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 78826958
N-[4-[[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 78825660
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,2-diphenyl-N-propylacetamide
CID 55361278
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 78826468
7-chloro-2-[[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 78825284

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-en-1-amine?
The IUPAC name of 2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-en-1-amine (CID 78826611) is 2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-en-1-amine.
What is the SMILES notation for 2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-en-1-amine?
The canonical SMILES for 2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-en-1-amine is C=C(Cl)CN(CCC)Cc1nnc(-c2ccccc2Cl)o1.
What is the InChIKey of 2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-en-1-amine?
The InChIKey is LOFVRBWITZGOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O/c1-3-8-20(9-11(2)16)10-14-18-19-15(21-14)12-6-4-5-7-13(12)17/h4-7H,2-3,8-10H2,1H3.
What are the key properties of 2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-en-1-amine?
2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-en-1-amine has a molecular weight of 326.23 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-en-1-amine is sourced from PubChem (CID 78826611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).