5-(2-aminoethyl)-N-(2,6-dibromo-4-chlorophenyl)-1,3,4-oxadiazol-2-amine

C10H9Br2ClN4O — CID 114209258

IUPAC5-(2-aminoethyl)-N-(2,6-dibromo-4-chlorophenyl)-1,3,4-oxadiazol-2-amine
SMILESNCCc1nnc(Nc2c(Br)cc(Cl)cc2Br)o1
InChIInChI=1S/C10H9Br2ClN4O/c11-6-3-5(13)4-7(12)9(6)15-10-17-16-8(18-10)1-2-14/h3-4H,1-2,14H2,(H,15,17)
InChIKeyTZNVVXBIWPCOSY-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.49
Rot. Bonds4

About 5-(2-aminoethyl)-N-(2,6-dibromo-4-chlorophenyl)-1,3,4-oxadiazol-2-amine

5-(2-aminoethyl)-N-(2,6-dibromo-4-chlorophenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 114209258) has the molecular formula C10H9Br2ClN4O and a molecular weight of 396.47 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-(2,6-dibromo-4-chlorophenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-(2,6-dibromo-4-chlorophenyl)-1,3,4-oxadiazol-2-amine
PubChem CID114209258
Molecular FormulaC10H9Br2ClN4O
Molecular Weight396.47 g/mol
Exact Mass393.88
IUPAC Name5-(2-aminoethyl)-N-(2,6-dibromo-4-chlorophenyl)-1,3,4-oxadiazol-2-amine
SMILESNCCc1nnc(Nc2c(Br)cc(Cl)cc2Br)o1
InChIInChI=1S/C10H9Br2ClN4O/c11-6-3-5(13)4-7(12)9(6)15-10-17-16-8(18-10)1-2-14/h3-4H,1-2,14H2,(H,15,17)
InChIKeyTZNVVXBIWPCOSY-UHFFFAOYSA-N
XLogP3.49
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-amine
CID 106966677
5-(2-aminoethyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-1,3,4-oxadiazol-2-amine
CID 106961766
5-(aminomethyl)-N-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-amine
CID 106966767
4-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide
CID 106966691
5-(2-aminoethyl)-N-(4-propylphenyl)-1,3,4-oxadiazol-2-amine
CID 106968865
5-(2-aminoethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 106966399
5-(2-aminoethyl)-N-(2,5-difluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106967359
N-(5-bromo-2-fluorophenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine
CID 106956705
5-(2-aminoethyl)-N-(4-butylphenyl)-1,3,4-oxadiazol-2-amine
CID 106968856
5-(2-aminoethyl)-N-pyridazin-3-yl-1,3,4-oxadiazol-2-amine
CID 106965275
5-(2-aminoethyl)-N-(4-fluoro-2-iodophenyl)-1,3,4-oxadiazol-2-amine
CID 106962819
N-(2,6-dibromo-4-methylphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106966963

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-(2,6-dibromo-4-chlorophenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N-(2,6-dibromo-4-chlorophenyl)-1,3,4-oxadiazol-2-amine (CID 114209258) is 5-(2-aminoethyl)-N-(2,6-dibromo-4-chlorophenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-(2,6-dibromo-4-chlorophenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-(2,6-dibromo-4-chlorophenyl)-1,3,4-oxadiazol-2-amine is NCCc1nnc(Nc2c(Br)cc(Cl)cc2Br)o1.
What is the InChIKey of 5-(2-aminoethyl)-N-(2,6-dibromo-4-chlorophenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is TZNVVXBIWPCOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2ClN4O/c11-6-3-5(13)4-7(12)9(6)15-10-17-16-8(18-10)1-2-14/h3-4H,1-2,14H2,(H,15,17).
What are the key properties of 5-(2-aminoethyl)-N-(2,6-dibromo-4-chlorophenyl)-1,3,4-oxadiazol-2-amine?
5-(2-aminoethyl)-N-(2,6-dibromo-4-chlorophenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 396.47 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-(2,6-dibromo-4-chlorophenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 114209258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).