5-[4-[3-[(2R)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;(4S)-4-[[3-[2-(dimethylamino)ethyl]-1-(4-phenoxyphenyl)indol-5-yl]methyl]-1,3-oxazolidin-2-one;5-[4-[3-[[(3R)-5-oxooxolan-3-yl]methyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine — IUPAC name, SMILES, InChIKey & properties

Name: 5-[4-[3-[(2R)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;(4S)-4-[[3-[2-(dimethylamino)ethyl]-1-(4-phenoxyphenyl)indol-5-yl]methyl]-1,3-oxazolidin-2-one;5-[4-[3-[[(3R)-5-oxooxolan-3-yl]methyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 5-[4-[3-[(2R)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;(4S)-4-[[3-[2-(dimethylamino)ethyl]-1-(4-phenoxyphenyl)indol-5-yl]methyl]-1,3-oxazolidin-2-one;5-[4-[3-[[(3R)-5-oxooxolan-3-yl]methyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine

5-[4-[3-[(2R)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;(4S)-4-[[3-[2-(dimethylamino)ethyl]-1-(4-phenoxyphenyl)indol-5-yl]methyl]-1,3-oxazolidin-2-one;5-[4-[3-[[(3R)-5-oxooxolan-3-yl]methyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine (PubChem CID 158099655) has the molecular formula C102H88F6N10O9 and a molecular weight of 1711.87 g/mol. Its IUPAC name is 5-[4-[3-[(2R)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;(4S)-4-[[3-[2-(dimethylamino)ethyl]-1-(4-phenoxyphenyl)indol-5-yl]methyl]-1,3-oxazolidin-2-one;5-[4-[3-[[(3R)-5-oxooxolan-3-yl]methyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine.

Molecular Properties

Compound Name	5-[4-[3-[(2R)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;(4S)-4-[[3-[2-(dimethylamino)ethyl]-1-(4-phenoxyphenyl)indol-5-yl]methyl]-1,3-oxazolidin-2-one;5-[4-[3-[[(3R)-5-oxooxolan-3-yl]methyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine
PubChem CID	158099655
Molecular Formula	C102H88F6N10O9
Molecular Weight	1711.87 g/mol
Exact Mass	1710.66
IUPAC Name	5-[4-[3-[(2R)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;(4S)-4-[[3-[2-(dimethylamino)ethyl]-1-(4-phenoxyphenyl)indol-5-yl]methyl]-1,3-oxazolidin-2-one;5-[4-[3-[[(3R)-5-oxooxolan-3-yl]methyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine
SMILES	CN(C)CCc1cn(-c2ccc(Oc3ccccc3)cc2)c2ccc(C[C@H]3COC(=O)N3)cc12.N#Cc1cc(Oc2ccc(-n3cc(C[C@@H](N)CO)c4ccccc43)cc2)ccc1C(F)(F)F.N#Cc1cc(Oc2ccc(-n3cc(C[C@H]4COC(=O)C4)c4ccccc43)cc2)ccc1C(F)(F)F.NCCc1cn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12
InChI	InChI=1S/C28H29N3O3.C27H19F3N2O3.C25H20F3N3O2.C22H20N2O/c1-30(2)15-14-21-18-31(23-9-11-25(12-10-23)34-24-6-4-3-5-7-24)27-13-8-20(17-26(21)27)16-22-19-33-28(32)29-22;28-27(29,30)24-10-9-22(13-18(24)14-31)35-21-7-5-20(6-8-21)32-15-19(11-17-12-26(33)34-16-17)23-3-1-2-4-25(23)32;26-25(27,28)23-10-9-21(12-16(23)13-29)33-20-7-5-19(6-8-20)31-14-17(11-18(30)15-32)22-3-1-2-4-24(22)31;23-15-14-17-16-24(22-9-5-4-8-21(17)22)18-10-12-20(13-11-18)25-19-6-2-1-3-7-19/h3-13,17-18,22H,14-16,19H2,1-2H3,(H,29,32);1-10,13,15,17H,11-12,16H2;1-10,12,14,18,32H,11,15,30H2;1-13,16H,14-15,23H2/t22-;17-;18-;/m011./s1
InChIKey	FPCGMXAIPAFEEU-PWJWGQCASA-N
XLogP	21.70
TPSA	244.36 Å²
H-Bond Donors	4
H-Bond Acceptors	18
Rotatable Bonds	24
Heavy Atoms	127
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1711.87
LogP ≤ 5	21.70
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Analyze 5-[4-[3-[(2R)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;(4S)-4-[[3-[2-(dimethylamino)ethyl]-1-(4-phenoxyphenyl)indol-5-yl]methyl]-1,3-oxazolidin-2-one;5-[4-[3-[[(3R)-5-oxooxolan-3-yl]methyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-[(2R)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;(4S)-4-[[3-[2-(dimethylamino)ethyl]-1-(4-phenoxyphenyl)indol-5-yl]methyl]-1,3-oxazolidin-2-one;5-[4-[3-[[(3R)-5-oxooxolan-3-yl]methyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine?

The IUPAC name of 5-[4-[3-[(2R)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;(4S)-4-[[3-[2-(dimethylamino)ethyl]-1-(4-phenoxyphenyl)indol-5-yl]methyl]-1,3-oxazolidin-2-one;5-[4-[3-[[(3R)-5-oxooxolan-3-yl]methyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine (CID 158099655) is 5-[4-[3-[(2R)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;(4S)-4-[[3-[2-(dimethylamino)ethyl]-1-(4-phenoxyphenyl)indol-5-yl]methyl]-1,3-oxazolidin-2-one;5-[4-[3-[[(3R)-5-oxooxolan-3-yl]methyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine.

What is the SMILES notation for 5-[4-[3-[(2R)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;(4S)-4-[[3-[2-(dimethylamino)ethyl]-1-(4-phenoxyphenyl)indol-5-yl]methyl]-1,3-oxazolidin-2-one;5-[4-[3-[[(3R)-5-oxooxolan-3-yl]methyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine?

The canonical SMILES for 5-[4-[3-[(2R)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;(4S)-4-[[3-[2-(dimethylamino)ethyl]-1-(4-phenoxyphenyl)indol-5-yl]methyl]-1,3-oxazolidin-2-one;5-[4-[3-[[(3R)-5-oxooxolan-3-yl]methyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine is CN(C)CCc1cn(-c2ccc(Oc3ccccc3)cc2)c2ccc(C[C@H]3COC(=O)N3)cc12.N#Cc1cc(Oc2ccc(-n3cc(C[C@@H](N)CO)c4ccccc43)cc2)ccc1C(F)(F)F.N#Cc1cc(Oc2ccc(-n3cc(C[C@H]4COC(=O)C4)c4ccccc43)cc2)ccc1C(F)(F)F.NCCc1cn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12.

What is the InChIKey of 5-[4-[3-[(2R)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;(4S)-4-[[3-[2-(dimethylamino)ethyl]-1-(4-phenoxyphenyl)indol-5-yl]methyl]-1,3-oxazolidin-2-one;5-[4-[3-[[(3R)-5-oxooxolan-3-yl]methyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine?

The InChIKey is FPCGMXAIPAFEEU-PWJWGQCASA-N. The full InChI is InChI=1S/C28H29N3O3.C27H19F3N2O3.C25H20F3N3O2.C22H20N2O/c1-30(2)15-14-21-18-31(23-9-11-25(12-10-23)34-24-6-4-3-5-7-24)27-13-8-20(17-26(21)27)16-22-19-33-28(32)29-22;28-27(29,30)24-10-9-22(13-18(24)14-31)35-21-7-5-20(6-8-21)32-15-19(11-17-12-26(33)34-16-17)23-3-1-2-4-25(23)32;26-25(27,28)23-10-9-21(12-16(23)13-29)33-20-7-5-19(6-8-20)31-14-17(11-18(30)15-32)22-3-1-2-4-24(22)31;23-15-14-17-16-24(22-9-5-4-8-21(17)22)18-10-12-20(13-11-18)25-19-6-2-1-3-7-19/h3-13,17-18,22H,14-16,19H2,1-2H3,(H,29,32);1-10,13,15,17H,11-12,16H2;1-10,12,14,18,32H,11,15,30H2;1-13,16H,14-15,23H2/t22-;17-;18-;/m011./s1.

What are the key properties of 5-[4-[3-[(2R)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;(4S)-4-[[3-[2-(dimethylamino)ethyl]-1-(4-phenoxyphenyl)indol-5-yl]methyl]-1,3-oxazolidin-2-one;5-[4-[3-[[(3R)-5-oxooxolan-3-yl]methyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine?

Where does this data come from?

All data for 5-[4-[3-[(2R)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;(4S)-4-[[3-[2-(dimethylamino)ethyl]-1-(4-phenoxyphenyl)indol-5-yl]methyl]-1,3-oxazolidin-2-one;5-[4-[3-[[(3R)-5-oxooxolan-3-yl]methyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile;2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine is sourced from PubChem (CID 158099655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).