N-[1-(furan-2-yl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide

C15H14N6O2 — CID 3578555

IUPACN-[1-(furan-2-yl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCC(=NNC(=O)Cn1nnc(-c2ccccc2)n1)c1ccco1
InChIInChI=1S/C15H14N6O2/c1-11(13-8-5-9-23-13)16-17-14(22)10-21-19-15(18-20-21)12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,17,22)
InChIKeyPNESQGBKKQEZET-UHFFFAOYSA-N
MW310.32 g/mol
LogP1.47
Rot. Bonds5

About N-[1-(furan-2-yl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide

N-[1-(furan-2-yl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 3578555) has the molecular formula C15H14N6O2 and a molecular weight of 310.32 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID3578555
Molecular FormulaC15H14N6O2
Molecular Weight310.32 g/mol
Exact Mass310.12
IUPAC NameN-[1-(furan-2-yl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCC(=NNC(=O)Cn1nnc(-c2ccccc2)n1)c1ccco1
InChIInChI=1S/C15H14N6O2/c1-11(13-8-5-9-23-13)16-17-14(22)10-21-19-15(18-20-21)12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,17,22)
InChIKeyPNESQGBKKQEZET-UHFFFAOYSA-N
XLogP1.47
TPSA98.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Related Compounds

N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8524115
N-[2-oxo-2-[2-[2-(5-phenyltetrazol-2-yl)acetyl]hydrazinyl]ethyl]furan-2-carboxamide
CID 4846196
N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 135552028
2-(5-phenyltetrazol-2-yl)-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]acetamide
CID 8524080
N-[(E)-1-(furan-2-yl)ethylideneamino]-2-phenylacetamide
CID 5335640
N-[(Z)-1-(3,4-diethoxyphenyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8524048
[2-methoxy-4-[[[2-(5-phenyltetrazol-2-yl)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 4599529
2-(benzimidazol-1-yl)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
CID 5395231
N-[(Z)-1-(furan-2-yl)ethylideneamino]-3-phenylpropanamide
CID 6339329
N-[(Z)-1-(1-adamantyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8524147
N-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634196
N-(benzylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide
CID 568805

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-[1-(furan-2-yl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide (CID 3578555) is N-[1-(furan-2-yl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-[1-(furan-2-yl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is CC(=NNC(=O)Cn1nnc(-c2ccccc2)n1)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is PNESQGBKKQEZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O2/c1-11(13-8-5-9-23-13)16-17-14(22)10-21-19-15(18-20-21)12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,17,22).
What are the key properties of N-[1-(furan-2-yl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
N-[1-(furan-2-yl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 310.32 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 3578555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).