(4-ethoxyphenyl)-[4-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone;tris((4-ethoxyphenyl)-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone)

C80H76N4O16 — CID 139182419

IUPAC(4-ethoxyphenyl)-[4-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone;tris((4-ethoxyphenyl)-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone)
SMILESCCOc1ccc(C(=O)c2nc(-c3ccc(OCC)cc3)co2)cc1.CCOc1ccc(C(=O)c2ncc(-c3ccc(OCC)cc3)o2)cc1.CCOc1ccc(C(=O)c2ncc(-c3ccc(OCC)cc3)o2)cc1.CCOc1ccc(C(=O)c2ncc(-c3ccc(OCC)cc3)o2)cc1
InChIInChI=1S/4C20H19NO4/c1-3-23-16-9-5-14(6-10-16)18-13-25-20(21-18)19(22)15-7-11-17(12-8-15)24-4-2;3*1-3-23-16-9-5-14(6-10-16)18-13-21-20(25-18)19(22)15-7-11-17(12-8-15)24-4-2/h4*5-13H,3-4H2,1-2H3
InChIKeyRQJVUAWDADZWPE-UHFFFAOYSA-N
MW1349.50 g/mol
LogP17.48
Rot. Bonds28

About (4-ethoxyphenyl)-[4-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone;tris((4-ethoxyphenyl)-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone)

(4-ethoxyphenyl)-[4-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone;tris((4-ethoxyphenyl)-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone) (PubChem CID 139182419) has the molecular formula C80H76N4O16 and a molecular weight of 1349.50 g/mol. Its IUPAC name is (4-ethoxyphenyl)-[4-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone;tris((4-ethoxyphenyl)-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone).

Molecular Properties

Compound Name(4-ethoxyphenyl)-[4-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone;tris((4-ethoxyphenyl)-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone)
PubChem CID139182419
Molecular FormulaC80H76N4O16
Molecular Weight1349.50 g/mol
Exact Mass1348.53
IUPAC Name(4-ethoxyphenyl)-[4-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone;tris((4-ethoxyphenyl)-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone)
SMILESCCOc1ccc(C(=O)c2nc(-c3ccc(OCC)cc3)co2)cc1.CCOc1ccc(C(=O)c2ncc(-c3ccc(OCC)cc3)o2)cc1.CCOc1ccc(C(=O)c2ncc(-c3ccc(OCC)cc3)o2)cc1.CCOc1ccc(C(=O)c2ncc(-c3ccc(OCC)cc3)o2)cc1
InChIInChI=1S/4C20H19NO4/c1-3-23-16-9-5-14(6-10-16)18-13-25-20(21-18)19(22)15-7-11-17(12-8-15)24-4-2;3*1-3-23-16-9-5-14(6-10-16)18-13-21-20(25-18)19(22)15-7-11-17(12-8-15)24-4-2/h4*5-13H,3-4H2,1-2H3
InChIKeyRQJVUAWDADZWPE-UHFFFAOYSA-N
XLogP17.48
TPSA246.24 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds28
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001349.50
LogP ≤ 517.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze (4-ethoxyphenyl)-[4-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone;tris((4-ethoxyphenyl)-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone) with MolForge

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Related Compounds

2-[4-(4-Pyrrolidin-1-ylbutoxy)phenyl]-5-[3-[2-[4-(4-pyrrolidin-1-ylbutoxy)phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazole
CID 70682499
2-[4-(3-Pyrrolidin-1-ylpropoxy)phenyl]-5-[3-[2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazole
CID 70686725
2-[4-(2-Pyrrolidin-1-ylethoxy)phenyl]-5-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazole
CID 70688813
2-Methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole;5-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole-2-carboxamide
CID 157417839
2-[5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]-1,3-oxazole;2-[5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]-1,3-oxazole
CID 157490006
2-(4-Fluorophenyl)-4-methyl-1,3-oxazole;2-(4-fluorophenyl)-5-methyl-1,3-oxazole;4-methyl-2-phenyl-1,3-oxazole;5-methyl-2-phenyl-1,3-oxazole;4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole;5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 161826272
5-(4-Butoxyphenyl)-2-[4-[5-(4-butoxyphenyl)-1,3-oxazol-2-yl]phenyl]-1,3-oxazole
CID 333848
2-Phenyl-5-[4-[[2,4,6-trimethyl-3,5-bis[[4-(2-phenyl-1,3-oxazol-5-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,3-oxazole
CID 135032438
2-cyclohexyl-3-(4-methoxybenzoyl)-1-[4-(1,3-oxazol-2-yl)phenyl]-4-phenylmethoxy-2H-pyrrol-5-one
CID 58044983
2-[4-[1-[1-[2-[4-(1,3-Benzoxazol-2-yl)phenoxy]propoxy]-3-[1-[2-[[2-[2-[4-(1,3-benzoxazol-2-yl)phenoxy]propoxy]-3-[2-[2-[4-(1,3-benzoxazol-2-yl)phenoxy]propoxy]propoxy]propoxy]methyl]-2-[[3-[2-[4-(1,3-benzoxazol-2-yl)phenoxy]propoxy]-2-[2-[2-[4-(1,3-benzoxazol-2-yl)phenoxy]propoxy]propoxy]propoxy]methyl]butoxy]-3-[2,3-bis[2-[4-(1,3-benzoxazol-2-yl)phenoxy]propoxy]propoxy]propan-2-yl]oxypropan-2-yl]oxypropan-2-yloxy]phenyl]-1,3-benzoxazole
CID 59702679
2-[4-[1-[1-[2-[4-(1,3-Benzoxazol-2-yl)phenoxy]propoxy]-3-[1-[2-[[3-[2-[4-(1,3-benzoxazol-2-yl)phenoxy]propoxy]-2-[2-[2-[4-(1,3-benzoxazol-2-yl)phenoxy]propoxy]propoxy]propoxy]methyl]-2-[[2-[2-[4-(1,3-benzoxazol-2-yl)phenoxy]propoxy]-3-[2-(2-ethoxypropoxy)propoxy]propoxy]methyl]butoxy]-3-[2-[2-[4-(1,3-benzoxazol-2-yl)phenoxy]propoxy]-3-(2-ethoxypropoxy)propoxy]propan-2-yl]oxypropan-2-yl]oxypropan-2-yloxy]phenyl]-1,3-benzoxazole
CID 59702695
2-[2,5-Bis[4-methyl-2-(1,3-oxazol-2-yl)-5-phenylphenyl]phenyl]-4-methyl-5-phenyl-1,3-oxazole
CID 67650515

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-[4-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone;tris((4-ethoxyphenyl)-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone)?
The IUPAC name of (4-ethoxyphenyl)-[4-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone;tris((4-ethoxyphenyl)-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone) (CID 139182419) is (4-ethoxyphenyl)-[4-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone;tris((4-ethoxyphenyl)-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone).
What is the SMILES notation for (4-ethoxyphenyl)-[4-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone;tris((4-ethoxyphenyl)-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone)?
The canonical SMILES for (4-ethoxyphenyl)-[4-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone;tris((4-ethoxyphenyl)-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone) is CCOc1ccc(C(=O)c2nc(-c3ccc(OCC)cc3)co2)cc1.CCOc1ccc(C(=O)c2ncc(-c3ccc(OCC)cc3)o2)cc1.CCOc1ccc(C(=O)c2ncc(-c3ccc(OCC)cc3)o2)cc1.CCOc1ccc(C(=O)c2ncc(-c3ccc(OCC)cc3)o2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-[4-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone;tris((4-ethoxyphenyl)-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone)?
The InChIKey is RQJVUAWDADZWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/4C20H19NO4/c1-3-23-16-9-5-14(6-10-16)18-13-25-20(21-18)19(22)15-7-11-17(12-8-15)24-4-2;3*1-3-23-16-9-5-14(6-10-16)18-13-21-20(25-18)19(22)15-7-11-17(12-8-15)24-4-2/h4*5-13H,3-4H2,1-2H3.
What are the key properties of (4-ethoxyphenyl)-[4-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone;tris((4-ethoxyphenyl)-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone)?
(4-ethoxyphenyl)-[4-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone;tris((4-ethoxyphenyl)-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone) has a molecular weight of 1349.50 g/mol, XLogP of 17.48, 28 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-[4-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone;tris((4-ethoxyphenyl)-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone) is sourced from PubChem (CID 139182419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).