(E)-1-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]phenyl]-N-(methylideneamino)ethanimine;ethane

C32H29N3O — CID 142019656

IUPAC(E)-1-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]phenyl]-N-(methylideneamino)ethanimine;ethane
SMILESC=N/N=C(\C)c1cccc(-c2ccccc2-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1.CC
InChIInChI=1S/C30H23N3O.C2H6/c1-21(33-31-2)24-16-11-17-25(20-24)26-18-9-10-19-27(26)30-32-28(22-12-5-3-6-13-22)29(34-30)23-14-7-4-8-15-23;1-2/h3-20H,2H2,1H3;1-2H3/b33-21+;
InChIKeyUNHBWYSGVPOSPL-KOCUTIIDSA-N
MW471.60 g/mol
LogP8.79
Rot. Bonds6

About (E)-1-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]phenyl]-N-(methylideneamino)ethanimine;ethane

(E)-1-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]phenyl]-N-(methylideneamino)ethanimine;ethane (PubChem CID 142019656) has the molecular formula C32H29N3O and a molecular weight of 471.60 g/mol. Its IUPAC name is (E)-1-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]phenyl]-N-(methylideneamino)ethanimine;ethane.

Molecular Properties

Compound Name(E)-1-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]phenyl]-N-(methylideneamino)ethanimine;ethane
PubChem CID142019656
Molecular FormulaC32H29N3O
Molecular Weight471.60 g/mol
Exact Mass471.23
IUPAC Name(E)-1-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]phenyl]-N-(methylideneamino)ethanimine;ethane
SMILESC=N/N=C(\C)c1cccc(-c2ccccc2-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1.CC
InChIInChI=1S/C30H23N3O.C2H6/c1-21(33-31-2)24-16-11-17-25(20-24)26-18-9-10-19-27(26)30-32-28(22-12-5-3-6-13-22)29(34-30)23-14-7-4-8-15-23;1-2/h3-20H,2H2,1H3;1-2H3/b33-21+;
InChIKeyUNHBWYSGVPOSPL-KOCUTIIDSA-N
XLogP8.79
TPSA50.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 58.79
H-Bond Donors ≤ 50
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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Related Compounds

(E)-3-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enoic acid
CID 12020827
1-[2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]phenyl]propan-2-yl]-2-methylhydrazine;ethane
CID 142019585
3-(4,5-diphenyl-1,3-oxazol-2-yl)naphthalen-2-ol
CID 136746121
4,5-diphenyl-2-[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-1,3-oxazole
CID 12020824
4,5-diphenyl-2-[2-[3-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-1,3-oxazole
CID 20821491
3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)-6-methylphenyl]phenol
CID 12020842
3-(4,5-diphenyl-1,3-oxazol-2-yl)phenol
CID 10470825
3-(4,5-diphenyl-1,3-oxazol-2-yl)-6-methoxynaphthalen-2-ol
CID 137183963
3-(4,5-diphenyl-1,3-oxazol-2-yl)chromen-2-one
CID 14320030
6-(4,5-diphenyl-1,3-oxazol-2-yl)naphthalene-2-carboxylic acid
CID 10430529
2-(1-methylindol-3-yl)-4,5-diphenyl-1,3-oxazole
CID 126495223
4,5-bis(4-bromophenyl)-2-phenyl-1,3-oxazole
CID 71740991

Frequently Asked Questions

What is the IUPAC name of (E)-1-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]phenyl]-N-(methylideneamino)ethanimine;ethane?
The IUPAC name of (E)-1-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]phenyl]-N-(methylideneamino)ethanimine;ethane (CID 142019656) is (E)-1-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]phenyl]-N-(methylideneamino)ethanimine;ethane.
What is the SMILES notation for (E)-1-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]phenyl]-N-(methylideneamino)ethanimine;ethane?
The canonical SMILES for (E)-1-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]phenyl]-N-(methylideneamino)ethanimine;ethane is C=N/N=C(\C)c1cccc(-c2ccccc2-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1.CC.
What is the InChIKey of (E)-1-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]phenyl]-N-(methylideneamino)ethanimine;ethane?
The InChIKey is UNHBWYSGVPOSPL-KOCUTIIDSA-N. The full InChI is InChI=1S/C30H23N3O.C2H6/c1-21(33-31-2)24-16-11-17-25(20-24)26-18-9-10-19-27(26)30-32-28(22-12-5-3-6-13-22)29(34-30)23-14-7-4-8-15-23;1-2/h3-20H,2H2,1H3;1-2H3/b33-21+;.
What are the key properties of (E)-1-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]phenyl]-N-(methylideneamino)ethanimine;ethane?
(E)-1-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]phenyl]-N-(methylideneamino)ethanimine;ethane has a molecular weight of 471.60 g/mol, XLogP of 8.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]phenyl]-N-(methylideneamino)ethanimine;ethane is sourced from PubChem (CID 142019656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).