N-[(Z)-1-(5-methyl-1,2-oxazol-3-yl)ethylideneamino]aniline

C12H13N3O — CID 11264385

IUPACN-[(Z)-1-(5-methyl-1,2-oxazol-3-yl)ethylideneamino]aniline
SMILESC/C(=N/Nc1ccccc1)c1cc(C)on1
InChIInChI=1S/C12H13N3O/c1-9-8-12(15-16-9)10(2)13-14-11-6-4-3-5-7-11/h3-8,14H,1-2H3/b13-10-
InChIKeyUTQHHZXZGQZMNG-RAXLEYEMSA-N
MW215.26 g/mol
LogP2.82
Rot. Bonds3

About N-[(Z)-1-(5-methyl-1,2-oxazol-3-yl)ethylideneamino]aniline

N-[(Z)-1-(5-methyl-1,2-oxazol-3-yl)ethylideneamino]aniline (PubChem CID 11264385) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-[(Z)-1-(5-methyl-1,2-oxazol-3-yl)ethylideneamino]aniline.

Molecular Properties

Compound NameN-[(Z)-1-(5-methyl-1,2-oxazol-3-yl)ethylideneamino]aniline
PubChem CID11264385
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-[(Z)-1-(5-methyl-1,2-oxazol-3-yl)ethylideneamino]aniline
SMILESC/C(=N/Nc1ccccc1)c1cc(C)on1
InChIInChI=1S/C12H13N3O/c1-9-8-12(15-16-9)10(2)13-14-11-6-4-3-5-7-11/h3-8,14H,1-2H3/b13-10-
InChIKeyUTQHHZXZGQZMNG-RAXLEYEMSA-N
XLogP2.82
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(Z)-1-(5-methyl-1,2-oxazol-3-yl)ethylideneamino]aniline?
The IUPAC name of N-[(Z)-1-(5-methyl-1,2-oxazol-3-yl)ethylideneamino]aniline (CID 11264385) is N-[(Z)-1-(5-methyl-1,2-oxazol-3-yl)ethylideneamino]aniline.
What is the SMILES notation for N-[(Z)-1-(5-methyl-1,2-oxazol-3-yl)ethylideneamino]aniline?
The canonical SMILES for N-[(Z)-1-(5-methyl-1,2-oxazol-3-yl)ethylideneamino]aniline is C/C(=N/Nc1ccccc1)c1cc(C)on1.
What is the InChIKey of N-[(Z)-1-(5-methyl-1,2-oxazol-3-yl)ethylideneamino]aniline?
The InChIKey is UTQHHZXZGQZMNG-RAXLEYEMSA-N. The full InChI is InChI=1S/C12H13N3O/c1-9-8-12(15-16-9)10(2)13-14-11-6-4-3-5-7-11/h3-8,14H,1-2H3/b13-10-.
What are the key properties of N-[(Z)-1-(5-methyl-1,2-oxazol-3-yl)ethylideneamino]aniline?
N-[(Z)-1-(5-methyl-1,2-oxazol-3-yl)ethylideneamino]aniline has a molecular weight of 215.26 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(5-methyl-1,2-oxazol-3-yl)ethylideneamino]aniline is sourced from PubChem (CID 11264385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).