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

C14H10N6O3 — CID 14489592

IUPACN-[(E)-(4-nitrophenyl)methylideneamino]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
SMILESO=[N+]([O-])c1ccc(/C=N/Nc2nnc(-c3ccncc3)o2)cc1
InChIInChI=1S/C14H10N6O3/c21-20(22)12-3-1-10(2-4-12)9-16-18-14-19-17-13(23-14)11-5-7-15-8-6-11/h1-9H,(H,18,19)/b16-9+
InChIKeyNFJFOCDCCGFTGX-CXUHLZMHSA-N
MW310.27 g/mol
LogP2.49
Rot. Bonds5

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

N-[(E)-(4-nitrophenyl)methylideneamino]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine (PubChem CID 14489592) has the molecular formula C14H10N6O3 and a molecular weight of 310.27 g/mol. Its IUPAC name is N-[(E)-(4-nitrophenyl)methylideneamino]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(E)-(4-nitrophenyl)methylideneamino]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
PubChem CID14489592
Molecular FormulaC14H10N6O3
Molecular Weight310.27 g/mol
Exact Mass310.08
IUPAC NameN-[(E)-(4-nitrophenyl)methylideneamino]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
SMILESO=[N+]([O-])c1ccc(/C=N/Nc2nnc(-c3ccncc3)o2)cc1
InChIInChI=1S/C14H10N6O3/c21-20(22)12-3-1-10(2-4-12)9-16-18-14-19-17-13(23-14)11-5-7-15-8-6-11/h1-9H,(H,18,19)/b16-9+
InChIKeyNFJFOCDCCGFTGX-CXUHLZMHSA-N
XLogP2.49
TPSA119.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1,3,4-Oxadiazole, 2-amino-5-(4-pyridyl)-
CID 12804
N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 7100780
1,3,4-Oxadiazol-2-amine, N-phenyl-5-(4-pyridinyl)-
CID 121137
N-[(E)-(4-nitrophenyl)methylideneamino]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 73054179
N-[(E)-(4-bromophenyl)methylideneamino]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
CID 155517006
N-[(E)-(4-chlorophenyl)methylideneamino]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
CID 155521418
N-[(E)-benzylideneamino]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
CID 155562605
(E)-1-(4-nitrophenyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanimine
CID 155563162
4-[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]pyridine
CID 793755
3-nitro-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 3708944
4-[5-(2-Nitrophenyl)-1,3,4-oxadiazol-2-yl]pyridine
CID 4321334
2-(3,5-Dinitrophenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 14385884

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-nitrophenyl)methylideneamino]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(E)-(4-nitrophenyl)methylideneamino]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine (CID 14489592) is N-[(E)-(4-nitrophenyl)methylideneamino]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(E)-(4-nitrophenyl)methylideneamino]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(E)-(4-nitrophenyl)methylideneamino]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine is O=[N+]([O-])c1ccc(/C=N/Nc2nnc(-c3ccncc3)o2)cc1.
What is the InChIKey of N-[(E)-(4-nitrophenyl)methylideneamino]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is NFJFOCDCCGFTGX-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H10N6O3/c21-20(22)12-3-1-10(2-4-12)9-16-18-14-19-17-13(23-14)11-5-7-15-8-6-11/h1-9H,(H,18,19)/b16-9+.
What are the key properties of N-[(E)-(4-nitrophenyl)methylideneamino]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine?
N-[(E)-(4-nitrophenyl)methylideneamino]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 310.27 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-nitrophenyl)methylideneamino]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 14489592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).