N-(2,5-dichlorophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine

C13H16Cl2N4O — CID 106966196

IUPACN-(2,5-dichlorophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(Nc2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C13H16Cl2N4O/c1-3-6-16-8(2)12-18-19-13(20-12)17-11-7-9(14)4-5-10(11)15/h4-5,7-8,16H,3,6H2,1-2H3,(H,17,19)
InChIKeyWRLOILKGJMHBKH-UHFFFAOYSA-N
MW315.20 g/mol
LogP4.18
Rot. Bonds6

About N-(2,5-dichlorophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine

N-(2,5-dichlorophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106966196) has the molecular formula C13H16Cl2N4O and a molecular weight of 315.20 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106966196
Molecular FormulaC13H16Cl2N4O
Molecular Weight315.20 g/mol
Exact Mass314.07
IUPAC NameN-(2,5-dichlorophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(Nc2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C13H16Cl2N4O/c1-3-6-16-8(2)12-18-19-13(20-12)17-11-7-9(14)4-5-10(11)15/h4-5,7-8,16H,3,6H2,1-2H3,(H,17,19)
InChIKeyWRLOILKGJMHBKH-UHFFFAOYSA-N
XLogP4.18
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2,5-dichlorophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-dichlorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966444
N-(2-chloro-5-fluorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 107532097
N-(2-bromo-4-chlorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106963424
N-(4-bromo-3-chlorophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 107618278
N-(2-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106968365
N-(2-bromophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106968064
N-(2-bromo-5-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106963884
N-[1-(3-chlorophenyl)ethyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106971201
N-[(3-chlorophenyl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106960479
N-(2-chloro-5-fluorophenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 107532092
N-(2,5-difluorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966563
N-(2,3-dihydro-1H-inden-5-yl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966784

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(2,5-dichlorophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine (CID 106966196) is N-(2,5-dichlorophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(2,5-dichlorophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(2,5-dichlorophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine is CCCNC(C)c1nnc(Nc2cc(Cl)ccc2Cl)o1.
What is the InChIKey of N-(2,5-dichlorophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is WRLOILKGJMHBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N4O/c1-3-6-16-8(2)12-18-19-13(20-12)17-11-7-9(14)4-5-10(11)15/h4-5,7-8,16H,3,6H2,1-2H3,(H,17,19).
What are the key properties of N-(2,5-dichlorophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
N-(2,5-dichlorophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 315.20 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106966196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).