1-(4-nitrophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]methanimine

C16H11N3O3 — CID 2739388

IUPAC1-(4-nitrophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]methanimine
SMILESO=[N+]([O-])c1ccc(/C=N/c2ccc(-c3cnco3)cc2)cc1
InChIInChI=1S/C16H11N3O3/c20-19(21)15-7-1-12(2-8-15)9-18-14-5-3-13(4-6-14)16-10-17-11-22-16/h1-11H/b18-9+
InChIKeyMNRTYOVQULCMSY-GIJQJNRQSA-N
MW293.28 g/mol
LogP4.00
Rot. Bonds4

About 1-(4-nitrophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]methanimine

1-(4-nitrophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]methanimine (PubChem CID 2739388) has the molecular formula C16H11N3O3 and a molecular weight of 293.28 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]methanimine.

Molecular Properties

Compound Name1-(4-nitrophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]methanimine
PubChem CID2739388
Molecular FormulaC16H11N3O3
Molecular Weight293.28 g/mol
Exact Mass293.08
IUPAC Name1-(4-nitrophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]methanimine
SMILESO=[N+]([O-])c1ccc(/C=N/c2ccc(-c3cnco3)cc2)cc1
InChIInChI=1S/C16H11N3O3/c20-19(21)15-7-1-12(2-8-15)9-18-14-5-3-13(4-6-14)16-10-17-11-22-16/h1-11H/b18-9+
InChIKeyMNRTYOVQULCMSY-GIJQJNRQSA-N
XLogP4.00
TPSA81.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]methanimine?
The IUPAC name of 1-(4-nitrophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]methanimine (CID 2739388) is 1-(4-nitrophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]methanimine.
What is the SMILES notation for 1-(4-nitrophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]methanimine?
The canonical SMILES for 1-(4-nitrophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]methanimine is O=[N+]([O-])c1ccc(/C=N/c2ccc(-c3cnco3)cc2)cc1.
What is the InChIKey of 1-(4-nitrophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]methanimine?
The InChIKey is MNRTYOVQULCMSY-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H11N3O3/c20-19(21)15-7-1-12(2-8-15)9-18-14-5-3-13(4-6-14)16-10-17-11-22-16/h1-11H/b18-9+.
What are the key properties of 1-(4-nitrophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]methanimine?
1-(4-nitrophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]methanimine has a molecular weight of 293.28 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]methanimine is sourced from PubChem (CID 2739388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).