4,5-bis(2-fluorophenyl)-2-(1H-indol-3-ylmethyl)-1,3-oxazole;[4-[5-[4-(hydroxymethyl)phenyl]-2-(1H-indol-3-ylmethyl)-1,3-oxazol-4-yl]phenyl]methanol;2-(1H-indol-3-ylmethyl)-4,5-bis(3-methylphenyl)-1,3-oxazole;bis(2-(1H-indol-3-ylmethyl)-4,5-bis(4-methylphenyl)-1,3-oxazole);2-(1H-indol-3-ylmethyl)-4,5-bis[2-(trifluoromethyl)phenyl]-1,3-oxazole

C154H120F8N12O8 — CID 158159842

IUPAC4,5-bis(2-fluorophenyl)-2-(1H-indol-3-ylmethyl)-1,3-oxazole;[4-[5-[4-(hydroxymethyl)phenyl]-2-(1H-indol-3-ylmethyl)-1,3-oxazol-4-yl]phenyl]methanol;2-(1H-indol-3-ylmethyl)-4,5-bis(3-methylphenyl)-1,3-oxazole;bis(2-(1H-indol-3-ylmethyl)-4,5-bis(4-methylphenyl)-1,3-oxazole);2-(1H-indol-3-ylmethyl)-4,5-bis[2-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESCc1ccc(-c2nc(Cc3c[nH]c4ccccc34)oc2-c2ccc(C)cc2)cc1.Cc1ccc(-c2nc(Cc3c[nH]c4ccccc34)oc2-c2ccc(C)cc2)cc1.Cc1cccc(-c2nc(Cc3c[nH]c4ccccc34)oc2-c2cccc(C)c2)c1.FC(F)(F)c1ccccc1-c1nc(Cc2c[nH]c3ccccc23)oc1-c1ccccc1C(F)(F)F.Fc1ccccc1-c1nc(Cc2c[nH]c3ccccc23)oc1-c1ccccc1F.OCc1ccc(-c2nc(Cc3c[nH]c4ccccc34)oc2-c2ccc(CO)cc2)cc1
InChIInChI=1S/C26H16F6N2O.C26H22N2O3.3C26H22N2O.C24H16F2N2O/c27-25(28,29)19-10-4-1-8-17(19)23-24(18-9-2-5-11-20(18)26(30,31)32)35-22(34-23)13-15-14-33-21-12-6-3-7-16(15)21;29-15-17-5-9-19(10-6-17)25-26(20-11-7-18(16-30)8-12-20)31-24(28-25)13-21-14-27-23-4-2-1-3-22(21)23;1-17-7-5-9-19(13-17)25-26(20-10-6-8-18(2)14-20)29-24(28-25)15-21-16-27-23-12-4-3-11-22(21)23;2*1-17-7-11-19(12-8-17)25-26(20-13-9-18(2)10-14-20)29-24(28-25)15-21-16-27-23-6-4-3-5-22(21)23;25-19-10-4-1-8-17(19)23-24(18-9-2-5-11-20(18)26)29-22(28-23)13-15-14-27-21-12-6-3-7-16(15)21/h1-12,14,33H,13H2;1-12,14,27,29-30H,13,15-16H2;3*3-14,16,27H,15H2,1-2H3;1-12,14,27H,13H2
InChIKeyFWDCNRMYTWFSPV-UHFFFAOYSA-N
MW2418.71 g/mol
LogP39.64
Rot. Bonds26

About 4,5-bis(2-fluorophenyl)-2-(1H-indol-3-ylmethyl)-1,3-oxazole;[4-[5-[4-(hydroxymethyl)phenyl]-2-(1H-indol-3-ylmethyl)-1,3-oxazol-4-yl]phenyl]methanol;2-(1H-indol-3-ylmethyl)-4,5-bis(3-methylphenyl)-1,3-oxazole;bis(2-(1H-indol-3-ylmethyl)-4,5-bis(4-methylphenyl)-1,3-oxazole);2-(1H-indol-3-ylmethyl)-4,5-bis[2-(trifluoromethyl)phenyl]-1,3-oxazole

4,5-bis(2-fluorophenyl)-2-(1H-indol-3-ylmethyl)-1,3-oxazole;[4-[5-[4-(hydroxymethyl)phenyl]-2-(1H-indol-3-ylmethyl)-1,3-oxazol-4-yl]phenyl]methanol;2-(1H-indol-3-ylmethyl)-4,5-bis(3-methylphenyl)-1,3-oxazole;bis(2-(1H-indol-3-ylmethyl)-4,5-bis(4-methylphenyl)-1,3-oxazole);2-(1H-indol-3-ylmethyl)-4,5-bis[2-(trifluoromethyl)phenyl]-1,3-oxazole (PubChem CID 158159842) has the molecular formula C154H120F8N12O8 and a molecular weight of 2418.71 g/mol. Its IUPAC name is 4,5-bis(2-fluorophenyl)-2-(1H-indol-3-ylmethyl)-1,3-oxazole;[4-[5-[4-(hydroxymethyl)phenyl]-2-(1H-indol-3-ylmethyl)-1,3-oxazol-4-yl]phenyl]methanol;2-(1H-indol-3-ylmethyl)-4,5-bis(3-methylphenyl)-1,3-oxazole;bis(2-(1H-indol-3-ylmethyl)-4,5-bis(4-methylphenyl)-1,3-oxazole);2-(1H-indol-3-ylmethyl)-4,5-bis[2-(trifluoromethyl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name4,5-bis(2-fluorophenyl)-2-(1H-indol-3-ylmethyl)-1,3-oxazole;[4-[5-[4-(hydroxymethyl)phenyl]-2-(1H-indol-3-ylmethyl)-1,3-oxazol-4-yl]phenyl]methanol;2-(1H-indol-3-ylmethyl)-4,5-bis(3-methylphenyl)-1,3-oxazole;bis(2-(1H-indol-3-ylmethyl)-4,5-bis(4-methylphenyl)-1,3-oxazole);2-(1H-indol-3-ylmethyl)-4,5-bis[2-(trifluoromethyl)phenyl]-1,3-oxazole
PubChem CID158159842
Molecular FormulaC154H120F8N12O8
Molecular Weight2418.71 g/mol
Exact Mass2416.92
IUPAC Name4,5-bis(2-fluorophenyl)-2-(1H-indol-3-ylmethyl)-1,3-oxazole;[4-[5-[4-(hydroxymethyl)phenyl]-2-(1H-indol-3-ylmethyl)-1,3-oxazol-4-yl]phenyl]methanol;2-(1H-indol-3-ylmethyl)-4,5-bis(3-methylphenyl)-1,3-oxazole;bis(2-(1H-indol-3-ylmethyl)-4,5-bis(4-methylphenyl)-1,3-oxazole);2-(1H-indol-3-ylmethyl)-4,5-bis[2-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESCc1ccc(-c2nc(Cc3c[nH]c4ccccc34)oc2-c2ccc(C)cc2)cc1.Cc1ccc(-c2nc(Cc3c[nH]c4ccccc34)oc2-c2ccc(C)cc2)cc1.Cc1cccc(-c2nc(Cc3c[nH]c4ccccc34)oc2-c2cccc(C)c2)c1.FC(F)(F)c1ccccc1-c1nc(Cc2c[nH]c3ccccc23)oc1-c1ccccc1C(F)(F)F.Fc1ccccc1-c1nc(Cc2c[nH]c3ccccc23)oc1-c1ccccc1F.OCc1ccc(-c2nc(Cc3c[nH]c4ccccc34)oc2-c2ccc(CO)cc2)cc1
InChIInChI=1S/C26H16F6N2O.C26H22N2O3.3C26H22N2O.C24H16F2N2O/c27-25(28,29)19-10-4-1-8-17(19)23-24(18-9-2-5-11-20(18)26(30,31)32)35-22(34-23)13-15-14-33-21-12-6-3-7-16(15)21;29-15-17-5-9-19(10-6-17)25-26(20-11-7-18(16-30)8-12-20)31-24(28-25)13-21-14-27-23-4-2-1-3-22(21)23;1-17-7-5-9-19(13-17)25-26(20-10-6-8-18(2)14-20)29-24(28-25)15-21-16-27-23-12-4-3-11-22(21)23;2*1-17-7-11-19(12-8-17)25-26(20-13-9-18(2)10-14-20)29-24(28-25)15-21-16-27-23-6-4-3-5-22(21)23;25-19-10-4-1-8-17(19)23-24(18-9-2-5-11-20(18)26)29-22(28-23)13-15-14-27-21-12-6-3-7-16(15)21/h1-12,14,33H,13H2;1-12,14,27,29-30H,13,15-16H2;3*3-14,16,27H,15H2,1-2H3;1-12,14,27H,13H2
InChIKeyFWDCNRMYTWFSPV-UHFFFAOYSA-N
XLogP39.64
TPSA291.38 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds26
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002418.71
LogP ≤ 539.64
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Analyze 4,5-bis(2-fluorophenyl)-2-(1H-indol-3-ylmethyl)-1,3-oxazole;[4-[5-[4-(hydroxymethyl)phenyl]-2-(1H-indol-3-ylmethyl)-1,3-oxazol-4-yl]phenyl]methanol;2-(1H-indol-3-ylmethyl)-4,5-bis(3-methylphenyl)-1,3-oxazole;bis(2-(1H-indol-3-ylmethyl)-4,5-bis(4-methylphenyl)-1,3-oxazole);2-(1H-indol-3-ylmethyl)-4,5-bis[2-(trifluoromethyl)phenyl]-1,3-oxazole with MolForge

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Related Compounds

2-(1H-indol-3-ylmethyl)-4,5-bis[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 126494888
2-(1H-indol-3-ylmethyl)-4,5-bis[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 126494892
2-(1H-indol-3-ylmethyl)-4,5-bis[2-(trifluoromethyl)phenyl]-1,3-oxazole
CID 126494893
4-[3-chloro-5-[2-fluoro-5-[4-(4-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-[3-chloro-5-[3-[2-[3-(1H-indol-3-yl)propyl]-5-(3-methoxyphenyl)-1,3-oxazol-4-yl]-5-methoxyphenyl]phenyl]-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole
CID 126495200
4-[3-chloro-5-[2-fluoro-5-[4-(4-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-(3-chlorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole
CID 126495244
4-[5-(4-hydroxyphenyl)-2-(1H-indol-3-ylmethyl)-1,3-oxazol-4-yl]-2-[3-[2-(1H-indol-3-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-5-(trifluoromethyl)phenyl]phenol
CID 126495265
N-[4-[3-fluoro-5-[3-fluoro-5-[4-(3-fluorophenyl)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-(3-fluorophenyl)-1,3-oxazol-2-yl]-3-(1H-indol-3-yl)propanamide
CID 126495283
4-[2-[2-(1H-indol-3-yl)ethyl]-5-[4-[1-[4-[2-[2-(1H-indol-3-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]phenyl]ethyl]phenyl]-1,3-oxazol-4-yl]phenol
CID 145233742
4-[2-[[4,5-bis(ethenyl)-1H-pyrrol-3-yl]methyl]-4-(4-methoxyphenyl)-1,3-oxazol-5-yl]phenol;2-(1H-indol-3-yl)-4,5-bis[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 145233758
ethane;(1R,3S)-1-[5-(1H-indol-3-yl)-4-methyl-1,3-oxazol-2-yl]-N,3-dimethylpentan-1-amine;(1R,3S)-1-[5-(1H-indol-3-yl)-4-methyl-1,3-oxazol-2-yl]-3-methylpentan-1-amine;[(1R,3S)-1-[5-(1H-indol-3-yl)-4-methyl-1,3-oxazol-2-yl]-3-methylpentyl]-dimethylazanium;(1R,3S)-1-[5-(1H-indol-3-yl)-4-methyl-1,3-oxazol-2-yl]-N,N,3-trimethylpentan-1-amine;(2R)-1-(1H-indol-3-yl)propan-2-amine;(2R,4S)-N-[1-(1H-indol-3-yl)propan-2-yl]-4-methyl-2-(methylamino)hexanamide;methane;(2R,4S)-4-methyl-2-(methylamino)hexanoic acid;2,2,2-trifluoroacetic acid
CID 157172983
ethane;(1S,3R)-1-[5-(1H-indol-3-yl)-4-methyl-1,3-oxazol-2-yl]-N,3-dimethylpentan-1-amine;(1S,3R)-1-[5-(1H-indol-3-yl)-4-methyl-1,3-oxazol-2-yl]-3-methylpentan-1-amine;[(1S,3R)-1-[5-(1H-indol-3-yl)-4-methyl-1,3-oxazol-2-yl]-3-methylpentyl]-dimethylazanium;(1S,3R)-1-[5-(1H-indol-3-yl)-4-methyl-1,3-oxazol-2-yl]-N,N,3-trimethylpentan-1-amine;(2R)-1-(1H-indol-3-yl)propan-2-amine;(2S,4R)-N-[1-(1H-indol-3-yl)propan-2-yl]-4-methyl-2-(methylamino)hexanamide;methane;(2S,4R)-4-methyl-2-(methylamino)hexanoic acid;2,2,2-trifluoroacetic acid
CID 157172984
6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-5-carboxylate
CID 158413089

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(2-fluorophenyl)-2-(1H-indol-3-ylmethyl)-1,3-oxazole;[4-[5-[4-(hydroxymethyl)phenyl]-2-(1H-indol-3-ylmethyl)-1,3-oxazol-4-yl]phenyl]methanol;2-(1H-indol-3-ylmethyl)-4,5-bis(3-methylphenyl)-1,3-oxazole;bis(2-(1H-indol-3-ylmethyl)-4,5-bis(4-methylphenyl)-1,3-oxazole);2-(1H-indol-3-ylmethyl)-4,5-bis[2-(trifluoromethyl)phenyl]-1,3-oxazole?
The IUPAC name of 4,5-bis(2-fluorophenyl)-2-(1H-indol-3-ylmethyl)-1,3-oxazole;[4-[5-[4-(hydroxymethyl)phenyl]-2-(1H-indol-3-ylmethyl)-1,3-oxazol-4-yl]phenyl]methanol;2-(1H-indol-3-ylmethyl)-4,5-bis(3-methylphenyl)-1,3-oxazole;bis(2-(1H-indol-3-ylmethyl)-4,5-bis(4-methylphenyl)-1,3-oxazole);2-(1H-indol-3-ylmethyl)-4,5-bis[2-(trifluoromethyl)phenyl]-1,3-oxazole (CID 158159842) is 4,5-bis(2-fluorophenyl)-2-(1H-indol-3-ylmethyl)-1,3-oxazole;[4-[5-[4-(hydroxymethyl)phenyl]-2-(1H-indol-3-ylmethyl)-1,3-oxazol-4-yl]phenyl]methanol;2-(1H-indol-3-ylmethyl)-4,5-bis(3-methylphenyl)-1,3-oxazole;bis(2-(1H-indol-3-ylmethyl)-4,5-bis(4-methylphenyl)-1,3-oxazole);2-(1H-indol-3-ylmethyl)-4,5-bis[2-(trifluoromethyl)phenyl]-1,3-oxazole.
What is the SMILES notation for 4,5-bis(2-fluorophenyl)-2-(1H-indol-3-ylmethyl)-1,3-oxazole;[4-[5-[4-(hydroxymethyl)phenyl]-2-(1H-indol-3-ylmethyl)-1,3-oxazol-4-yl]phenyl]methanol;2-(1H-indol-3-ylmethyl)-4,5-bis(3-methylphenyl)-1,3-oxazole;bis(2-(1H-indol-3-ylmethyl)-4,5-bis(4-methylphenyl)-1,3-oxazole);2-(1H-indol-3-ylmethyl)-4,5-bis[2-(trifluoromethyl)phenyl]-1,3-oxazole?
The canonical SMILES for 4,5-bis(2-fluorophenyl)-2-(1H-indol-3-ylmethyl)-1,3-oxazole;[4-[5-[4-(hydroxymethyl)phenyl]-2-(1H-indol-3-ylmethyl)-1,3-oxazol-4-yl]phenyl]methanol;2-(1H-indol-3-ylmethyl)-4,5-bis(3-methylphenyl)-1,3-oxazole;bis(2-(1H-indol-3-ylmethyl)-4,5-bis(4-methylphenyl)-1,3-oxazole);2-(1H-indol-3-ylmethyl)-4,5-bis[2-(trifluoromethyl)phenyl]-1,3-oxazole is Cc1ccc(-c2nc(Cc3c[nH]c4ccccc34)oc2-c2ccc(C)cc2)cc1.Cc1ccc(-c2nc(Cc3c[nH]c4ccccc34)oc2-c2ccc(C)cc2)cc1.Cc1cccc(-c2nc(Cc3c[nH]c4ccccc34)oc2-c2cccc(C)c2)c1.FC(F)(F)c1ccccc1-c1nc(Cc2c[nH]c3ccccc23)oc1-c1ccccc1C(F)(F)F.Fc1ccccc1-c1nc(Cc2c[nH]c3ccccc23)oc1-c1ccccc1F.OCc1ccc(-c2nc(Cc3c[nH]c4ccccc34)oc2-c2ccc(CO)cc2)cc1.
What is the InChIKey of 4,5-bis(2-fluorophenyl)-2-(1H-indol-3-ylmethyl)-1,3-oxazole;[4-[5-[4-(hydroxymethyl)phenyl]-2-(1H-indol-3-ylmethyl)-1,3-oxazol-4-yl]phenyl]methanol;2-(1H-indol-3-ylmethyl)-4,5-bis(3-methylphenyl)-1,3-oxazole;bis(2-(1H-indol-3-ylmethyl)-4,5-bis(4-methylphenyl)-1,3-oxazole);2-(1H-indol-3-ylmethyl)-4,5-bis[2-(trifluoromethyl)phenyl]-1,3-oxazole?
The InChIKey is FWDCNRMYTWFSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16F6N2O.C26H22N2O3.3C26H22N2O.C24H16F2N2O/c27-25(28,29)19-10-4-1-8-17(19)23-24(18-9-2-5-11-20(18)26(30,31)32)35-22(34-23)13-15-14-33-21-12-6-3-7-16(15)21;29-15-17-5-9-19(10-6-17)25-26(20-11-7-18(16-30)8-12-20)31-24(28-25)13-21-14-27-23-4-2-1-3-22(21)23;1-17-7-5-9-19(13-17)25-26(20-10-6-8-18(2)14-20)29-24(28-25)15-21-16-27-23-12-4-3-11-22(21)23;2*1-17-7-11-19(12-8-17)25-26(20-13-9-18(2)10-14-20)29-24(28-25)15-21-16-27-23-6-4-3-5-22(21)23;25-19-10-4-1-8-17(19)23-24(18-9-2-5-11-20(18)26)29-22(28-23)13-15-14-27-21-12-6-3-7-16(15)21/h1-12,14,33H,13H2;1-12,14,27,29-30H,13,15-16H2;3*3-14,16,27H,15H2,1-2H3;1-12,14,27H,13H2.
What are the key properties of 4,5-bis(2-fluorophenyl)-2-(1H-indol-3-ylmethyl)-1,3-oxazole;[4-[5-[4-(hydroxymethyl)phenyl]-2-(1H-indol-3-ylmethyl)-1,3-oxazol-4-yl]phenyl]methanol;2-(1H-indol-3-ylmethyl)-4,5-bis(3-methylphenyl)-1,3-oxazole;bis(2-(1H-indol-3-ylmethyl)-4,5-bis(4-methylphenyl)-1,3-oxazole);2-(1H-indol-3-ylmethyl)-4,5-bis[2-(trifluoromethyl)phenyl]-1,3-oxazole?
4,5-bis(2-fluorophenyl)-2-(1H-indol-3-ylmethyl)-1,3-oxazole;[4-[5-[4-(hydroxymethyl)phenyl]-2-(1H-indol-3-ylmethyl)-1,3-oxazol-4-yl]phenyl]methanol;2-(1H-indol-3-ylmethyl)-4,5-bis(3-methylphenyl)-1,3-oxazole;bis(2-(1H-indol-3-ylmethyl)-4,5-bis(4-methylphenyl)-1,3-oxazole);2-(1H-indol-3-ylmethyl)-4,5-bis[2-(trifluoromethyl)phenyl]-1,3-oxazole has a molecular weight of 2418.71 g/mol, XLogP of 39.64, 26 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(2-fluorophenyl)-2-(1H-indol-3-ylmethyl)-1,3-oxazole;[4-[5-[4-(hydroxymethyl)phenyl]-2-(1H-indol-3-ylmethyl)-1,3-oxazol-4-yl]phenyl]methanol;2-(1H-indol-3-ylmethyl)-4,5-bis(3-methylphenyl)-1,3-oxazole;bis(2-(1H-indol-3-ylmethyl)-4,5-bis(4-methylphenyl)-1,3-oxazole);2-(1H-indol-3-ylmethyl)-4,5-bis[2-(trifluoromethyl)phenyl]-1,3-oxazole is sourced from PubChem (CID 158159842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).