(3S,4S)-4-[(dimethylamino)methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide;(3S,4S)-4-formyl-N-[2-(1H-indol-3-yl)ethyl]-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide;methane

C65H69N7O5 — CID 159524436

IUPAC(3S,4S)-4-[(dimethylamino)methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide;(3S,4S)-4-formyl-N-[2-(1H-indol-3-yl)ethyl]-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide;methane
SMILESC.Cc1ccc(C#Cc2ccc(CN3OC[C@@H](C=O)[C@H]3C(=O)NCCc3c[nH]c4ccccc34)cc2)cc1.Cc1ccc(C#Cc2ccc(CN3OC[C@@H](CN(C)C)[C@H]3C(=O)NCCc3c[nH]c4ccccc34)cc2)cc1
InChIInChI=1S/C33H36N4O2.C31H29N3O3.CH4/c1-24-8-10-25(11-9-24)12-13-26-14-16-27(17-15-26)21-37-32(29(23-39-37)22-36(2)3)33(38)34-19-18-28-20-35-31-7-5-4-6-30(28)31;1-22-6-8-23(9-7-22)10-11-24-12-14-25(15-13-24)19-34-30(27(20-35)21-37-34)31(36)32-17-16-26-18-33-29-5-3-2-4-28(26)29;/h4-11,14-17,20,29,32,35H,18-19,21-23H2,1-3H3,(H,34,38);2-9,12-15,18,20,27,30,33H,16-17,19,21H2,1H3,(H,32,36);1H4/t29-,32+;27-,30+;/m11./s1
InChIKeyMCFCSGZZFADKGY-MBZZGQTRSA-N
MW1028.31 g/mol
LogP9.33
Rot. Bonds15

About (3S,4S)-4-[(dimethylamino)methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide;(3S,4S)-4-formyl-N-[2-(1H-indol-3-yl)ethyl]-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide;methane

(3S,4S)-4-[(dimethylamino)methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide;(3S,4S)-4-formyl-N-[2-(1H-indol-3-yl)ethyl]-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide;methane (PubChem CID 159524436) has the molecular formula C65H69N7O5 and a molecular weight of 1028.31 g/mol. Its IUPAC name is (3S,4S)-4-[(dimethylamino)methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide;(3S,4S)-4-formyl-N-[2-(1H-indol-3-yl)ethyl]-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide;methane.

Molecular Properties

Compound Name(3S,4S)-4-[(dimethylamino)methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide;(3S,4S)-4-formyl-N-[2-(1H-indol-3-yl)ethyl]-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide;methane
PubChem CID159524436
Molecular FormulaC65H69N7O5
Molecular Weight1028.31 g/mol
Exact Mass1027.54
IUPAC Name(3S,4S)-4-[(dimethylamino)methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide;(3S,4S)-4-formyl-N-[2-(1H-indol-3-yl)ethyl]-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide;methane
SMILESC.Cc1ccc(C#Cc2ccc(CN3OC[C@@H](C=O)[C@H]3C(=O)NCCc3c[nH]c4ccccc34)cc2)cc1.Cc1ccc(C#Cc2ccc(CN3OC[C@@H](CN(C)C)[C@H]3C(=O)NCCc3c[nH]c4ccccc34)cc2)cc1
InChIInChI=1S/C33H36N4O2.C31H29N3O3.CH4/c1-24-8-10-25(11-9-24)12-13-26-14-16-27(17-15-26)21-37-32(29(23-39-37)22-36(2)3)33(38)34-19-18-28-20-35-31-7-5-4-6-30(28)31;1-22-6-8-23(9-7-22)10-11-24-12-14-25(15-13-24)19-34-30(27(20-35)21-37-34)31(36)32-17-16-26-18-33-29-5-3-2-4-28(26)29;/h4-11,14-17,20,29,32,35H,18-19,21-23H2,1-3H3,(H,34,38);2-9,12-15,18,20,27,30,33H,16-17,19,21H2,1H3,(H,32,36);1H4/t29-,32+;27-,30+;/m11./s1
InChIKeyMCFCSGZZFADKGY-MBZZGQTRSA-N
XLogP9.33
TPSA135.03 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001028.31
LogP ≤ 59.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (3S,4S)-4-[(dimethylamino)methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide;(3S,4S)-4-formyl-N-[2-(1H-indol-3-yl)ethyl]-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-N-[(4-iodophenyl)methyl]-2-oxoethanimine oxide;4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide;1-[(4-iodophenyl)methyl]-3,3a,4,6a-tetrahydrofuro[3,4-c][1,2]oxazol-6-one;prop-2-en-1-ol
CID 158443851
(3S,4R,5R)-5-[(1S)-1-hydroxyethyl]-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]-2-[[4-[2-(4-methylphenyl)ethyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide
CID 58593160
(1S)-1-[(3S,4R,5R)-4-(hydroxymethyl)-3-[[2-(1H-indol-3-yl)ethylamino]methyl]-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]methyl]-1,2-oxazolidin-5-yl]ethanol
CID 58593181
(3S,4R)-5-(1-hydroxyethyl)-4-(hydroxymethyl)-2-[[4-[2-(3-hydroxyphenyl)ethynyl]phenyl]methyl]-N-[2-(1H-indol-3-yl)ethyl]-1,2-oxazolidine-3-carboxamide
CID 143170863
(3R,4S,5S)-2-[[3-[2-(4-chlorophenyl)ethynyl]phenyl]methyl]-5-[(1R)-1-hydroxyethyl]-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,2-oxazolidine-3-carboxamide
CID 58593184
(3R)-N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 41063066
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 16574540
(3S,4R,5R)-2-benzyl-4-[(1S)-1-hydroxyethyl]-5-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,2-oxazolidine-3-carboxamide
CID 58593156
N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-ynamide
CID 134217339
(3R,4S,5R)-5-[(1R)-1-[butyl-di(propan-2-yl)silyl]oxyethyl]-2-[[4-[2-(cyclohexen-1-yl)ethynyl]phenyl]methyl]-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,2-oxazolidine-3-carboxamide
CID 58593212
N-[2-(1H-indol-3-yl)ethyl]-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
CID 108961978
N-[2-(1H-indol-3-yl)ethyl]-4-(methylamino)oxolane-3-carboxamide
CID 66267223

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[(dimethylamino)methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide;(3S,4S)-4-formyl-N-[2-(1H-indol-3-yl)ethyl]-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide;methane?
The IUPAC name of (3S,4S)-4-[(dimethylamino)methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide;(3S,4S)-4-formyl-N-[2-(1H-indol-3-yl)ethyl]-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide;methane (CID 159524436) is (3S,4S)-4-[(dimethylamino)methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide;(3S,4S)-4-formyl-N-[2-(1H-indol-3-yl)ethyl]-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide;methane.
What is the SMILES notation for (3S,4S)-4-[(dimethylamino)methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide;(3S,4S)-4-formyl-N-[2-(1H-indol-3-yl)ethyl]-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide;methane?
The canonical SMILES for (3S,4S)-4-[(dimethylamino)methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide;(3S,4S)-4-formyl-N-[2-(1H-indol-3-yl)ethyl]-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide;methane is C.Cc1ccc(C#Cc2ccc(CN3OC[C@@H](C=O)[C@H]3C(=O)NCCc3c[nH]c4ccccc34)cc2)cc1.Cc1ccc(C#Cc2ccc(CN3OC[C@@H](CN(C)C)[C@H]3C(=O)NCCc3c[nH]c4ccccc34)cc2)cc1.
What is the InChIKey of (3S,4S)-4-[(dimethylamino)methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide;(3S,4S)-4-formyl-N-[2-(1H-indol-3-yl)ethyl]-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide;methane?
The InChIKey is MCFCSGZZFADKGY-MBZZGQTRSA-N. The full InChI is InChI=1S/C33H36N4O2.C31H29N3O3.CH4/c1-24-8-10-25(11-9-24)12-13-26-14-16-27(17-15-26)21-37-32(29(23-39-37)22-36(2)3)33(38)34-19-18-28-20-35-31-7-5-4-6-30(28)31;1-22-6-8-23(9-7-22)10-11-24-12-14-25(15-13-24)19-34-30(27(20-35)21-37-34)31(36)32-17-16-26-18-33-29-5-3-2-4-28(26)29;/h4-11,14-17,20,29,32,35H,18-19,21-23H2,1-3H3,(H,34,38);2-9,12-15,18,20,27,30,33H,16-17,19,21H2,1H3,(H,32,36);1H4/t29-,32+;27-,30+;/m11./s1.
What are the key properties of (3S,4S)-4-[(dimethylamino)methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide;(3S,4S)-4-formyl-N-[2-(1H-indol-3-yl)ethyl]-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide;methane?
(3S,4S)-4-[(dimethylamino)methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide;(3S,4S)-4-formyl-N-[2-(1H-indol-3-yl)ethyl]-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide;methane has a molecular weight of 1028.31 g/mol, XLogP of 9.33, 15 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[(dimethylamino)methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide;(3S,4S)-4-formyl-N-[2-(1H-indol-3-yl)ethyl]-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide;methane is sourced from PubChem (CID 159524436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).