4,5-diphenyl-2-quinolin-3-yl-1,3-oxazole;ethane;3-[5-(3-hydroxyphenyl)-2-(1H-indol-3-ylmethyl)-1,3-oxazol-4-yl]phenol

C50H40N4O4 — CID 145233731

IUPAC4,5-diphenyl-2-quinolin-3-yl-1,3-oxazole;ethane;3-[5-(3-hydroxyphenyl)-2-(1H-indol-3-ylmethyl)-1,3-oxazol-4-yl]phenol
SMILESCC.Oc1cccc(-c2nc(Cc3c[nH]c4ccccc34)oc2-c2cccc(O)c2)c1.c1ccc(-c2nc(-c3cnc4ccccc4c3)oc2-c2ccccc2)cc1
InChIInChI=1S/C24H18N2O3.C24H16N2O.C2H6/c27-18-7-3-5-15(11-18)23-24(16-6-4-8-19(28)12-16)29-22(26-23)13-17-14-25-21-10-2-1-9-20(17)21;1-3-9-17(10-4-1)22-23(18-11-5-2-6-12-18)27-24(26-22)20-15-19-13-7-8-14-21(19)25-16-20;1-2/h1-12,14,25,27-28H,13H2;1-16H;1-2H3
InChIKeyQTLXLUWQWXNTBA-UHFFFAOYSA-N
MW760.89 g/mol
LogP12.74
Rot. Bonds7

About 4,5-diphenyl-2-quinolin-3-yl-1,3-oxazole;ethane;3-[5-(3-hydroxyphenyl)-2-(1H-indol-3-ylmethyl)-1,3-oxazol-4-yl]phenol

4,5-diphenyl-2-quinolin-3-yl-1,3-oxazole;ethane;3-[5-(3-hydroxyphenyl)-2-(1H-indol-3-ylmethyl)-1,3-oxazol-4-yl]phenol (PubChem CID 145233731) has the molecular formula C50H40N4O4 and a molecular weight of 760.89 g/mol. Its IUPAC name is 4,5-diphenyl-2-quinolin-3-yl-1,3-oxazole;ethane;3-[5-(3-hydroxyphenyl)-2-(1H-indol-3-ylmethyl)-1,3-oxazol-4-yl]phenol.

Molecular Properties

Compound Name4,5-diphenyl-2-quinolin-3-yl-1,3-oxazole;ethane;3-[5-(3-hydroxyphenyl)-2-(1H-indol-3-ylmethyl)-1,3-oxazol-4-yl]phenol
PubChem CID145233731
Molecular FormulaC50H40N4O4
Molecular Weight760.89 g/mol
Exact Mass760.30
IUPAC Name4,5-diphenyl-2-quinolin-3-yl-1,3-oxazole;ethane;3-[5-(3-hydroxyphenyl)-2-(1H-indol-3-ylmethyl)-1,3-oxazol-4-yl]phenol
SMILESCC.Oc1cccc(-c2nc(Cc3c[nH]c4ccccc34)oc2-c2cccc(O)c2)c1.c1ccc(-c2nc(-c3cnc4ccccc4c3)oc2-c2ccccc2)cc1
InChIInChI=1S/C24H18N2O3.C24H16N2O.C2H6/c27-18-7-3-5-15(11-18)23-24(16-6-4-8-19(28)12-16)29-22(26-23)13-17-14-25-21-10-2-1-9-20(17)21;1-3-9-17(10-4-1)22-23(18-11-5-2-6-12-18)27-24(26-22)20-15-19-13-7-8-14-21(19)25-16-20;1-2/h1-12,14,25,27-28H,13H2;1-16H;1-2H3
InChIKeyQTLXLUWQWXNTBA-UHFFFAOYSA-N
XLogP12.74
TPSA121.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.89
LogP ≤ 512.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4,5-diphenyl-2-quinolin-3-yl-1,3-oxazole;ethane;3-[5-(3-hydroxyphenyl)-2-(1H-indol-3-ylmethyl)-1,3-oxazol-4-yl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-2-quinolin-3-yl-1,3-oxazole;ethane;3-[5-(3-hydroxyphenyl)-2-(1H-indol-3-ylmethyl)-1,3-oxazol-4-yl]phenol?
The IUPAC name of 4,5-diphenyl-2-quinolin-3-yl-1,3-oxazole;ethane;3-[5-(3-hydroxyphenyl)-2-(1H-indol-3-ylmethyl)-1,3-oxazol-4-yl]phenol (CID 145233731) is 4,5-diphenyl-2-quinolin-3-yl-1,3-oxazole;ethane;3-[5-(3-hydroxyphenyl)-2-(1H-indol-3-ylmethyl)-1,3-oxazol-4-yl]phenol.
What is the SMILES notation for 4,5-diphenyl-2-quinolin-3-yl-1,3-oxazole;ethane;3-[5-(3-hydroxyphenyl)-2-(1H-indol-3-ylmethyl)-1,3-oxazol-4-yl]phenol?
The canonical SMILES for 4,5-diphenyl-2-quinolin-3-yl-1,3-oxazole;ethane;3-[5-(3-hydroxyphenyl)-2-(1H-indol-3-ylmethyl)-1,3-oxazol-4-yl]phenol is CC.Oc1cccc(-c2nc(Cc3c[nH]c4ccccc34)oc2-c2cccc(O)c2)c1.c1ccc(-c2nc(-c3cnc4ccccc4c3)oc2-c2ccccc2)cc1.
What is the InChIKey of 4,5-diphenyl-2-quinolin-3-yl-1,3-oxazole;ethane;3-[5-(3-hydroxyphenyl)-2-(1H-indol-3-ylmethyl)-1,3-oxazol-4-yl]phenol?
The InChIKey is QTLXLUWQWXNTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O3.C24H16N2O.C2H6/c27-18-7-3-5-15(11-18)23-24(16-6-4-8-19(28)12-16)29-22(26-23)13-17-14-25-21-10-2-1-9-20(17)21;1-3-9-17(10-4-1)22-23(18-11-5-2-6-12-18)27-24(26-22)20-15-19-13-7-8-14-21(19)25-16-20;1-2/h1-12,14,25,27-28H,13H2;1-16H;1-2H3.
What are the key properties of 4,5-diphenyl-2-quinolin-3-yl-1,3-oxazole;ethane;3-[5-(3-hydroxyphenyl)-2-(1H-indol-3-ylmethyl)-1,3-oxazol-4-yl]phenol?
4,5-diphenyl-2-quinolin-3-yl-1,3-oxazole;ethane;3-[5-(3-hydroxyphenyl)-2-(1H-indol-3-ylmethyl)-1,3-oxazol-4-yl]phenol has a molecular weight of 760.89 g/mol, XLogP of 12.74, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-2-quinolin-3-yl-1,3-oxazole;ethane;3-[5-(3-hydroxyphenyl)-2-(1H-indol-3-ylmethyl)-1,3-oxazol-4-yl]phenol is sourced from PubChem (CID 145233731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).