4-(1,3-oxazol-5-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]aniline

C15H12N4O — CID 102423839

IUPAC4-(1,3-oxazol-5-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]aniline
SMILESC(=N\Nc1ccc(-c2cnco2)cc1)\c1ccncc1
InChIInChI=1S/C15H12N4O/c1-3-14(4-2-13(1)15-10-17-11-20-15)19-18-9-12-5-7-16-8-6-12/h1-11,19H/b18-9-
InChIKeyGPTKXXNIQOIWRR-NVMNQCDNSA-N
MW264.29 g/mol
LogP3.18
Rot. Bonds4

About 4-(1,3-oxazol-5-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]aniline

4-(1,3-oxazol-5-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]aniline (PubChem CID 102423839) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 4-(1,3-oxazol-5-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]aniline.

Molecular Properties

Compound Name4-(1,3-oxazol-5-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]aniline
PubChem CID102423839
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name4-(1,3-oxazol-5-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]aniline
SMILESC(=N\Nc1ccc(-c2cnco2)cc1)\c1ccncc1
InChIInChI=1S/C15H12N4O/c1-3-14(4-2-13(1)15-10-17-11-20-15)19-18-9-12-5-7-16-8-6-12/h1-11,19H/b18-9-
InChIKeyGPTKXXNIQOIWRR-NVMNQCDNSA-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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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-oxazol-5-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]aniline?
The IUPAC name of 4-(1,3-oxazol-5-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]aniline (CID 102423839) is 4-(1,3-oxazol-5-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]aniline.
What is the SMILES notation for 4-(1,3-oxazol-5-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]aniline?
The canonical SMILES for 4-(1,3-oxazol-5-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]aniline is C(=N\Nc1ccc(-c2cnco2)cc1)\c1ccncc1.
What is the InChIKey of 4-(1,3-oxazol-5-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]aniline?
The InChIKey is GPTKXXNIQOIWRR-NVMNQCDNSA-N. The full InChI is InChI=1S/C15H12N4O/c1-3-14(4-2-13(1)15-10-17-11-20-15)19-18-9-12-5-7-16-8-6-12/h1-11,19H/b18-9-.
What are the key properties of 4-(1,3-oxazol-5-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]aniline?
4-(1,3-oxazol-5-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]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 4-(1,3-oxazol-5-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]aniline is sourced from PubChem (CID 102423839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).