N-[(E)-(4-bromophenyl)methylideneamino]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine

C14H10BrN5O — CID 155517006

IUPACN-[(E)-(4-bromophenyl)methylideneamino]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
SMILESBrc1ccc(/C=N/Nc2nnc(-c3ccncc3)o2)cc1
InChIInChI=1S/C14H10BrN5O/c15-12-3-1-10(2-4-12)9-17-19-14-20-18-13(21-14)11-5-7-16-8-6-11/h1-9H,(H,19,20)/b17-9+
InChIKeyDAQJXPYVPISCGN-RQZCQDPDSA-N
MW344.17 g/mol
LogP3.34
Rot. Bonds4

About N-[(E)-(4-bromophenyl)methylideneamino]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine

N-[(E)-(4-bromophenyl)methylideneamino]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine (PubChem CID 155517006) has the molecular formula C14H10BrN5O and a molecular weight of 344.17 g/mol. Its IUPAC name is N-[(E)-(4-bromophenyl)methylideneamino]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(E)-(4-bromophenyl)methylideneamino]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
PubChem CID155517006
Molecular FormulaC14H10BrN5O
Molecular Weight344.17 g/mol
Exact Mass343.01
IUPAC NameN-[(E)-(4-bromophenyl)methylideneamino]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
SMILESBrc1ccc(/C=N/Nc2nnc(-c3ccncc3)o2)cc1
InChIInChI=1S/C14H10BrN5O/c15-12-3-1-10(2-4-12)9-17-19-14-20-18-13(21-14)11-5-7-16-8-6-11/h1-9H,(H,19,20)/b17-9+
InChIKeyDAQJXPYVPISCGN-RQZCQDPDSA-N
XLogP3.34
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-bromophenyl)methylideneamino]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(E)-(4-bromophenyl)methylideneamino]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine (CID 155517006) is N-[(E)-(4-bromophenyl)methylideneamino]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(E)-(4-bromophenyl)methylideneamino]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(E)-(4-bromophenyl)methylideneamino]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine is Brc1ccc(/C=N/Nc2nnc(-c3ccncc3)o2)cc1.
What is the InChIKey of N-[(E)-(4-bromophenyl)methylideneamino]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is DAQJXPYVPISCGN-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H10BrN5O/c15-12-3-1-10(2-4-12)9-17-19-14-20-18-13(21-14)11-5-7-16-8-6-11/h1-9H,(H,19,20)/b17-9+.
What are the key properties of N-[(E)-(4-bromophenyl)methylideneamino]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine?
N-[(E)-(4-bromophenyl)methylideneamino]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 344.17 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-bromophenyl)methylideneamino]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 155517006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).