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

C13H16BrClN4O — CID 107618278

IUPACN-(4-bromo-3-chlorophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(Nc2ccc(Br)c(Cl)c2)o1
InChIInChI=1S/C13H16BrClN4O/c1-3-6-16-8(2)12-18-19-13(20-12)17-9-4-5-10(14)11(15)7-9/h4-5,7-8,16H,3,6H2,1-2H3,(H,17,19)
InChIKeyQXDPCJWNIURTQZ-UHFFFAOYSA-N
MW359.66 g/mol
LogP4.29
Rot. Bonds6

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

N-(4-bromo-3-chlorophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 107618278) has the molecular formula C13H16BrClN4O and a molecular weight of 359.66 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID107618278
Molecular FormulaC13H16BrClN4O
Molecular Weight359.66 g/mol
Exact Mass358.02
IUPAC NameN-(4-bromo-3-chlorophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(Nc2ccc(Br)c(Cl)c2)o1
InChIInChI=1S/C13H16BrClN4O/c1-3-6-16-8(2)12-18-19-13(20-12)17-9-4-5-10(14)11(15)7-9/h4-5,7-8,16H,3,6H2,1-2H3,(H,17,19)
InChIKeyQXDPCJWNIURTQZ-UHFFFAOYSA-N
XLogP4.29
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.66
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromo-5-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106963884
N-(2,3-dihydro-1H-inden-5-yl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966784
N-(2,5-dichlorophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966196
N-(2-bromophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106968064
N-(2-bromo-4-chlorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106963424
N-[1-(3-chlorophenyl)ethyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106971201
N-(2-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106968365
N-(4-chloro-3-fluorophenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106959404
N-(2,4-dichlorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966444
N-[4-bromo-3-(trifluoromethyl)phenyl]-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine
CID 106957945
N-[(3-chlorophenyl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106960479
2-N-(4-bromo-3-chlorophenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 107617918

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine (CID 107618278) is N-(4-bromo-3-chlorophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine is CCCNC(C)c1nnc(Nc2ccc(Br)c(Cl)c2)o1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is QXDPCJWNIURTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN4O/c1-3-6-16-8(2)12-18-19-13(20-12)17-9-4-5-10(14)11(15)7-9/h4-5,7-8,16H,3,6H2,1-2H3,(H,17,19).
What are the key properties of N-(4-bromo-3-chlorophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
N-(4-bromo-3-chlorophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 359.66 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 107618278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).