1-(2,5-diphenyl-1,3-oxazol-4-yl)-N-[2,6-di(propan-2-yl)phenyl]methanimine

C28H28N2O — CID 58932997

IUPAC1-(2,5-diphenyl-1,3-oxazol-4-yl)-N-[2,6-di(propan-2-yl)phenyl]methanimine
SMILESCC(C)c1cccc(C(C)C)c1/N=C/c1nc(-c2ccccc2)oc1-c1ccccc1
InChIInChI=1S/C28H28N2O/c1-19(2)23-16-11-17-24(20(3)4)26(23)29-18-25-27(21-12-7-5-8-13-21)31-28(30-25)22-14-9-6-10-15-22/h5-20H,1-4H3/b29-18+
InChIKeyWDZIVVCFHMHKTO-RDRPBHBLSA-N
MW408.55 g/mol
LogP8.01
Rot. Bonds6

About 1-(2,5-diphenyl-1,3-oxazol-4-yl)-N-[2,6-di(propan-2-yl)phenyl]methanimine

1-(2,5-diphenyl-1,3-oxazol-4-yl)-N-[2,6-di(propan-2-yl)phenyl]methanimine (PubChem CID 58932997) has the molecular formula C28H28N2O and a molecular weight of 408.55 g/mol. Its IUPAC name is 1-(2,5-diphenyl-1,3-oxazol-4-yl)-N-[2,6-di(propan-2-yl)phenyl]methanimine.

Molecular Properties

Compound Name1-(2,5-diphenyl-1,3-oxazol-4-yl)-N-[2,6-di(propan-2-yl)phenyl]methanimine
PubChem CID58932997
Molecular FormulaC28H28N2O
Molecular Weight408.55 g/mol
Exact Mass408.22
IUPAC Name1-(2,5-diphenyl-1,3-oxazol-4-yl)-N-[2,6-di(propan-2-yl)phenyl]methanimine
SMILESCC(C)c1cccc(C(C)C)c1/N=C/c1nc(-c2ccccc2)oc1-c1ccccc1
InChIInChI=1S/C28H28N2O/c1-19(2)23-16-11-17-24(20(3)4)26(23)29-18-25-27(21-12-7-5-8-13-21)31-28(30-25)22-14-9-6-10-15-22/h5-20H,1-4H3/b29-18+
InChIKeyWDZIVVCFHMHKTO-RDRPBHBLSA-N
XLogP8.01
TPSA38.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.55
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-(2,5-diphenyl-1,3-oxazol-4-yl)-N-[2,6-di(propan-2-yl)phenyl]methanimine?
The IUPAC name of 1-(2,5-diphenyl-1,3-oxazol-4-yl)-N-[2,6-di(propan-2-yl)phenyl]methanimine (CID 58932997) is 1-(2,5-diphenyl-1,3-oxazol-4-yl)-N-[2,6-di(propan-2-yl)phenyl]methanimine.
What is the SMILES notation for 1-(2,5-diphenyl-1,3-oxazol-4-yl)-N-[2,6-di(propan-2-yl)phenyl]methanimine?
The canonical SMILES for 1-(2,5-diphenyl-1,3-oxazol-4-yl)-N-[2,6-di(propan-2-yl)phenyl]methanimine is CC(C)c1cccc(C(C)C)c1/N=C/c1nc(-c2ccccc2)oc1-c1ccccc1.
What is the InChIKey of 1-(2,5-diphenyl-1,3-oxazol-4-yl)-N-[2,6-di(propan-2-yl)phenyl]methanimine?
The InChIKey is WDZIVVCFHMHKTO-RDRPBHBLSA-N. The full InChI is InChI=1S/C28H28N2O/c1-19(2)23-16-11-17-24(20(3)4)26(23)29-18-25-27(21-12-7-5-8-13-21)31-28(30-25)22-14-9-6-10-15-22/h5-20H,1-4H3/b29-18+.
What are the key properties of 1-(2,5-diphenyl-1,3-oxazol-4-yl)-N-[2,6-di(propan-2-yl)phenyl]methanimine?
1-(2,5-diphenyl-1,3-oxazol-4-yl)-N-[2,6-di(propan-2-yl)phenyl]methanimine has a molecular weight of 408.55 g/mol, XLogP of 8.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diphenyl-1,3-oxazol-4-yl)-N-[2,6-di(propan-2-yl)phenyl]methanimine is sourced from PubChem (CID 58932997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).