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

C13H17BrN4O — CID 106968064

IUPACN-(2-bromophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(Nc2ccccc2Br)o1
InChIInChI=1S/C13H17BrN4O/c1-3-8-15-9(2)12-17-18-13(19-12)16-11-7-5-4-6-10(11)14/h4-7,9,15H,3,8H2,1-2H3,(H,16,18)
InChIKeyFSLPSLUCSVIPGE-UHFFFAOYSA-N
MW325.21 g/mol
LogP3.64
Rot. Bonds6

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

N-(2-bromophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106968064) has the molecular formula C13H17BrN4O and a molecular weight of 325.21 g/mol. Its IUPAC name is N-(2-bromophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(2-bromophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106968064
Molecular FormulaC13H17BrN4O
Molecular Weight325.21 g/mol
Exact Mass324.06
IUPAC NameN-(2-bromophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(Nc2ccccc2Br)o1
InChIInChI=1S/C13H17BrN4O/c1-3-8-15-9(2)12-17-18-13(19-12)16-11-7-5-4-6-10(11)14/h4-7,9,15H,3,8H2,1-2H3,(H,16,18)
InChIKeyFSLPSLUCSVIPGE-UHFFFAOYSA-N
XLogP3.64
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106968365
N-(2-bromo-5-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106963884
N-(4-bromo-3-chlorophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 107618278
N-(2,5-dichlorophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966196
N-(2-bromo-4-chlorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106963424
N-(2-bromophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968057
N-(1-phenylpropyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106960360
N-(2,3-dimethylphenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106967995
2-N-(2-bromophenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436573
N-(2,3-difluorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106969735
N-[1-[5-(2-bromo-6-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 114560892
N-[1-[5-(3-bromo-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 107952660

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(2-bromophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine (CID 106968064) is N-(2-bromophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(2-bromophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(2-bromophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine is CCCNC(C)c1nnc(Nc2ccccc2Br)o1.
What is the InChIKey of N-(2-bromophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is FSLPSLUCSVIPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O/c1-3-8-15-9(2)12-17-18-13(19-12)16-11-7-5-4-6-10(11)14/h4-7,9,15H,3,8H2,1-2H3,(H,16,18).
What are the key properties of N-(2-bromophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
N-(2-bromophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 325.21 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106968064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).