(1E,3Z)-2-bromo-3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)hexa-1,3,5-trien-1-amine

C10H12BrN3O — CID 88964856

IUPAC(1E,3Z)-2-bromo-3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)hexa-1,3,5-trien-1-amine
SMILESC=C(/C=C(C)\C(Br)=C/N)c1nnc(C)o1
InChIInChI=1S/C10H12BrN3O/c1-6(9(11)5-12)4-7(2)10-14-13-8(3)15-10/h4-5H,2,12H2,1,3H3/b6-4-,9-5+
InChIKeyASKOOFQSBIBQKM-QUNSIMLLSA-N
MW270.13 g/mol
LogP2.53
Rot. Bonds3

About (1E,3Z)-2-bromo-3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)hexa-1,3,5-trien-1-amine

(1E,3Z)-2-bromo-3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)hexa-1,3,5-trien-1-amine (PubChem CID 88964856) has the molecular formula C10H12BrN3O and a molecular weight of 270.13 g/mol. Its IUPAC name is (1E,3Z)-2-bromo-3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)hexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-2-bromo-3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)hexa-1,3,5-trien-1-amine
PubChem CID88964856
Molecular FormulaC10H12BrN3O
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name(1E,3Z)-2-bromo-3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)hexa-1,3,5-trien-1-amine
SMILESC=C(/C=C(C)\C(Br)=C/N)c1nnc(C)o1
InChIInChI=1S/C10H12BrN3O/c1-6(9(11)5-12)4-7(2)10-14-13-8(3)15-10/h4-5H,2,12H2,1,3H3/b6-4-,9-5+
InChIKeyASKOOFQSBIBQKM-QUNSIMLLSA-N
XLogP2.53
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-2-bromo-3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)hexa-1,3,5-trien-1-amine?
The IUPAC name of (1E,3Z)-2-bromo-3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)hexa-1,3,5-trien-1-amine (CID 88964856) is (1E,3Z)-2-bromo-3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)hexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1E,3Z)-2-bromo-3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)hexa-1,3,5-trien-1-amine?
The canonical SMILES for (1E,3Z)-2-bromo-3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)hexa-1,3,5-trien-1-amine is C=C(/C=C(C)\C(Br)=C/N)c1nnc(C)o1.
What is the InChIKey of (1E,3Z)-2-bromo-3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)hexa-1,3,5-trien-1-amine?
The InChIKey is ASKOOFQSBIBQKM-QUNSIMLLSA-N. The full InChI is InChI=1S/C10H12BrN3O/c1-6(9(11)5-12)4-7(2)10-14-13-8(3)15-10/h4-5H,2,12H2,1,3H3/b6-4-,9-5+.
What are the key properties of (1E,3Z)-2-bromo-3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)hexa-1,3,5-trien-1-amine?
(1E,3Z)-2-bromo-3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)hexa-1,3,5-trien-1-amine has a molecular weight of 270.13 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-2-bromo-3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)hexa-1,3,5-trien-1-amine is sourced from PubChem (CID 88964856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).