N-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methylideneamino]aniline

C15H12N4O — CID 169382687

IUPACN-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methylideneamino]aniline
SMILESC(=NNc1ccccc1)c1cccc(-c2ncon2)c1
InChIInChI=1S/C15H12N4O/c1-2-7-14(8-3-1)18-17-10-12-5-4-6-13(9-12)15-16-11-20-19-15/h1-11,18H
InChIKeyJBKUDNQUZUACGV-UHFFFAOYSA-N
MW264.29 g/mol
LogP3.18
Rot. Bonds4

About N-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methylideneamino]aniline

N-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methylideneamino]aniline (PubChem CID 169382687) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is N-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methylideneamino]aniline
PubChem CID169382687
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC NameN-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methylideneamino]aniline
SMILESC(=NNc1ccccc1)c1cccc(-c2ncon2)c1
InChIInChI=1S/C15H12N4O/c1-2-7-14(8-3-1)18-17-10-12-5-4-6-13(9-12)15-16-11-20-19-15/h1-11,18H
InChIKeyJBKUDNQUZUACGV-UHFFFAOYSA-N
XLogP3.18
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

[[3-(1,2,4-oxadiazol-3-yl)phenyl]methylideneamino]thiourea
CID 168535172
4-[3-[(phenylhydrazinylidene)methyl]phenyl]phenol
CID 169382274
N-[[3-(2-fluorophenyl)phenyl]methylideneamino]aniline
CID 169382256
N-[[3-(5-methylthiophen-2-yl)phenyl]methylideneamino]aniline
CID 169383574
benzyl N'-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methylideneamino]carbamimidothioate
CID 168612231
N-[(E)-(3-chlorophenyl)methylideneamino]aniline
CID 12732295
N-[(3,5-difluorophenyl)methylideneamino]aniline
CID 169381503
N-[(Z)-(4-phenylphenyl)methylideneamino]aniline
CID 5356673
N-[(3-methylsulfanylphenyl)methylideneamino]aniline
CID 169381797
2-amino-5-[(phenylhydrazinylidene)methyl]benzonitrile
CID 169384043
N-[(3-ethoxyphenyl)methylideneamino]aniline
CID 169381619
N-[(3-fluorophenyl)methylideneamino]-5-phenylpyrimidin-2-amine
CID 3107053

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methylideneamino]aniline?
The IUPAC name of N-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methylideneamino]aniline (CID 169382687) is N-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methylideneamino]aniline?
The canonical SMILES for N-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methylideneamino]aniline is C(=NNc1ccccc1)c1cccc(-c2ncon2)c1.
What is the InChIKey of N-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methylideneamino]aniline?
The InChIKey is JBKUDNQUZUACGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c1-2-7-14(8-3-1)18-17-10-12-5-4-6-13(9-12)15-16-11-20-19-15/h1-11,18H.
What are the key properties of N-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methylideneamino]aniline?
N-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methylideneamino]aniline has a molecular weight of 264.29 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methylideneamino]aniline is sourced from PubChem (CID 169382687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).