(5Z)-5-benzylidene-2-(4-methoxyphenyl)-4,4-diphenyl-1,3-oxazole

C29H23NO2 — CID 14115752

IUPAC(5Z)-5-benzylidene-2-(4-methoxyphenyl)-4,4-diphenyl-1,3-oxazole
SMILESCOc1ccc(C2=NC(c3ccccc3)(c3ccccc3)/C(=C/c3ccccc3)O2)cc1
InChIInChI=1S/C29H23NO2/c1-31-26-19-17-23(18-20-26)28-30-29(24-13-7-3-8-14-24,25-15-9-4-10-16-25)27(32-28)21-22-11-5-2-6-12-22/h2-21H,1H3/b27-21-
InChIKeyMOMAUDDROWUOLH-MEFGMAGPSA-N
MW417.51 g/mol
LogP6.46
Rot. Bonds5

About (5Z)-5-benzylidene-2-(4-methoxyphenyl)-4,4-diphenyl-1,3-oxazole

(5Z)-5-benzylidene-2-(4-methoxyphenyl)-4,4-diphenyl-1,3-oxazole (PubChem CID 14115752) has the molecular formula C29H23NO2 and a molecular weight of 417.51 g/mol. Its IUPAC name is (5Z)-5-benzylidene-2-(4-methoxyphenyl)-4,4-diphenyl-1,3-oxazole.

Molecular Properties

Compound Name(5Z)-5-benzylidene-2-(4-methoxyphenyl)-4,4-diphenyl-1,3-oxazole
PubChem CID14115752
Molecular FormulaC29H23NO2
Molecular Weight417.51 g/mol
Exact Mass417.17
IUPAC Name(5Z)-5-benzylidene-2-(4-methoxyphenyl)-4,4-diphenyl-1,3-oxazole
SMILESCOc1ccc(C2=NC(c3ccccc3)(c3ccccc3)/C(=C/c3ccccc3)O2)cc1
InChIInChI=1S/C29H23NO2/c1-31-26-19-17-23(18-20-26)28-30-29(24-13-7-3-8-14-24,25-15-9-4-10-16-25)27(32-28)21-22-11-5-2-6-12-22/h2-21H,1H3/b27-21-
InChIKeyMOMAUDDROWUOLH-MEFGMAGPSA-N
XLogP6.46
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-indol-3-yl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazol-5-one
CID 155929407
(4R)-4-(2-fluoroprop-2-enyl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazol-5-one
CID 135015518
(4Z)-2-(4-methoxyphenyl)-4-[(3-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 2258676
(4Z)-2-(4-methoxyphenyl)-4-(naphthalen-2-ylmethylidene)-1,3-oxazol-5-one
CID 9312649
(4Z)-4-[(4-methoxyphenyl)methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one
CID 9313256
4-[(3,5-dimethoxyphenyl)methylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one
CID 4816005
(4Z)-4-[(3,5-dimethoxyphenyl)methylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one
CID 6214719
(4Z)-2-(4-methoxyphenyl)-4-(2-methyl-3-phenylprop-2-enylidene)-1,3-oxazol-5-one
CID 6952332
phenyl (4R)-2-(4-methoxyphenyl)-4-methyl-5-oxo-1,3-oxazole-4-carboxylate
CID 101263641
(4Z)-2-(4-methoxyphenyl)-4-[(3-methylphenyl)methylidene]-1,3-oxazol-5-one
CID 9312688
(5Z)-4-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]furan-2-one
CID 11587605
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-2-(4-methoxyphenyl)-4,4-diphenyl-1,3-oxazole?
The IUPAC name of (5Z)-5-benzylidene-2-(4-methoxyphenyl)-4,4-diphenyl-1,3-oxazole (CID 14115752) is (5Z)-5-benzylidene-2-(4-methoxyphenyl)-4,4-diphenyl-1,3-oxazole.
What is the SMILES notation for (5Z)-5-benzylidene-2-(4-methoxyphenyl)-4,4-diphenyl-1,3-oxazole?
The canonical SMILES for (5Z)-5-benzylidene-2-(4-methoxyphenyl)-4,4-diphenyl-1,3-oxazole is COc1ccc(C2=NC(c3ccccc3)(c3ccccc3)/C(=C/c3ccccc3)O2)cc1.
What is the InChIKey of (5Z)-5-benzylidene-2-(4-methoxyphenyl)-4,4-diphenyl-1,3-oxazole?
The InChIKey is MOMAUDDROWUOLH-MEFGMAGPSA-N. The full InChI is InChI=1S/C29H23NO2/c1-31-26-19-17-23(18-20-26)28-30-29(24-13-7-3-8-14-24,25-15-9-4-10-16-25)27(32-28)21-22-11-5-2-6-12-22/h2-21H,1H3/b27-21-.
What are the key properties of (5Z)-5-benzylidene-2-(4-methoxyphenyl)-4,4-diphenyl-1,3-oxazole?
(5Z)-5-benzylidene-2-(4-methoxyphenyl)-4,4-diphenyl-1,3-oxazole has a molecular weight of 417.51 g/mol, XLogP of 6.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-2-(4-methoxyphenyl)-4,4-diphenyl-1,3-oxazole is sourced from PubChem (CID 14115752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).