N-[7-(1,3-oxazol-5-yl)-2,3-dihydro-1-benzofuran-5-yl]-1,1-diphenylmethanimine

C24H18N2O2 — CID 118862287

IUPACN-[7-(1,3-oxazol-5-yl)-2,3-dihydro-1-benzofuran-5-yl]-1,1-diphenylmethanimine
SMILESc1ccc(C(=Nc2cc3c(c(-c4cnco4)c2)OCC3)c2ccccc2)cc1
InChIInChI=1S/C24H18N2O2/c1-3-7-17(8-4-1)23(18-9-5-2-6-10-18)26-20-13-19-11-12-27-24(19)21(14-20)22-15-25-16-28-22/h1-10,13-16H,11-12H2
InChIKeyWVCKVBGXNKAFJB-UHFFFAOYSA-N
MW366.42 g/mol
LogP5.45
Rot. Bonds4

About N-[7-(1,3-oxazol-5-yl)-2,3-dihydro-1-benzofuran-5-yl]-1,1-diphenylmethanimine

N-[7-(1,3-oxazol-5-yl)-2,3-dihydro-1-benzofuran-5-yl]-1,1-diphenylmethanimine (PubChem CID 118862287) has the molecular formula C24H18N2O2 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[7-(1,3-oxazol-5-yl)-2,3-dihydro-1-benzofuran-5-yl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[7-(1,3-oxazol-5-yl)-2,3-dihydro-1-benzofuran-5-yl]-1,1-diphenylmethanimine
PubChem CID118862287
Molecular FormulaC24H18N2O2
Molecular Weight366.42 g/mol
Exact Mass366.14
IUPAC NameN-[7-(1,3-oxazol-5-yl)-2,3-dihydro-1-benzofuran-5-yl]-1,1-diphenylmethanimine
SMILESc1ccc(C(=Nc2cc3c(c(-c4cnco4)c2)OCC3)c2ccccc2)cc1
InChIInChI=1S/C24H18N2O2/c1-3-7-17(8-4-1)23(18-9-5-2-6-10-18)26-20-13-19-11-12-27-24(19)21(14-20)22-15-25-16-28-22/h1-10,13-16H,11-12H2
InChIKeyWVCKVBGXNKAFJB-UHFFFAOYSA-N
XLogP5.45
TPSA47.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[7-(1,3-oxazol-5-yl)-2,3-dihydro-1-benzofuran-5-yl]-1,1-diphenylmethanimine?
The IUPAC name of N-[7-(1,3-oxazol-5-yl)-2,3-dihydro-1-benzofuran-5-yl]-1,1-diphenylmethanimine (CID 118862287) is N-[7-(1,3-oxazol-5-yl)-2,3-dihydro-1-benzofuran-5-yl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[7-(1,3-oxazol-5-yl)-2,3-dihydro-1-benzofuran-5-yl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[7-(1,3-oxazol-5-yl)-2,3-dihydro-1-benzofuran-5-yl]-1,1-diphenylmethanimine is c1ccc(C(=Nc2cc3c(c(-c4cnco4)c2)OCC3)c2ccccc2)cc1.
What is the InChIKey of N-[7-(1,3-oxazol-5-yl)-2,3-dihydro-1-benzofuran-5-yl]-1,1-diphenylmethanimine?
The InChIKey is WVCKVBGXNKAFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O2/c1-3-7-17(8-4-1)23(18-9-5-2-6-10-18)26-20-13-19-11-12-27-24(19)21(14-20)22-15-25-16-28-22/h1-10,13-16H,11-12H2.
What are the key properties of N-[7-(1,3-oxazol-5-yl)-2,3-dihydro-1-benzofuran-5-yl]-1,1-diphenylmethanimine?
N-[7-(1,3-oxazol-5-yl)-2,3-dihydro-1-benzofuran-5-yl]-1,1-diphenylmethanimine has a molecular weight of 366.42 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(1,3-oxazol-5-yl)-2,3-dihydro-1-benzofuran-5-yl]-1,1-diphenylmethanimine is sourced from PubChem (CID 118862287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).