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

C120H174F3N18O9+ — CID 157172983

IUPACethane;(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
SMILESC.CC.CC[C@H](C)C[C@@H](N)c1nc(C)c(-c2c[nH]c3ccccc23)o1.CC[C@H](C)C[C@@H](NC)C(=O)NC(C)Cc1c[nH]c2ccccc12.CC[C@H](C)C[C@@H](NC)C(=O)O.CC[C@H](C)C[C@@H](NC)c1nc(C)c(-c2c[nH]c3ccccc23)o1.CC[C@H](C)C[C@H](c1nc(C)c(-c2c[nH]c3ccccc23)o1)N(C)C.CC[C@H](C)C[C@H](c1nc(C)c(-c2c[nH]c3ccccc23)o1)[NH+](C)C.C[C@@H](N)Cc1c[nH]c2ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/2C20H27N3O.C19H25N3O.C19H29N3O.C18H23N3O.C11H14N2.C8H17NO2.C2HF3O2.C2H6.CH4/c2*1-6-13(2)11-18(23(4)5)20-22-14(3)19(24-20)16-12-21-17-10-8-7-9-15(16)17;1-5-12(2)10-17(20-4)19-22-13(3)18(23-19)15-11-21-16-9-7-6-8-14(15)16;1-5-13(2)10-18(20-4)19(23)22-14(3)11-15-12-21-17-9-7-6-8-16(15)17;1-4-11(2)9-15(19)18-21-12(3)17(22-18)14-10-20-16-8-6-5-7-13(14)16;1-8(12)6-9-7-13-11-5-3-2-4-10(9)11;1-4-6(2)5-7(9-3)8(10)11;3-2(4,5)1(6)7;1-2;/h2*7-10,12-13,18,21H,6,11H2,1-5H3;6-9,11-12,17,20-21H,5,10H2,1-4H3;6-9,12-14,18,20-21H,5,10-11H2,1-4H3,(H,22,23);5-8,10-11,15,20H,4,9,19H2,1-3H3;2-5,7-8,13H,6,12H2,1H3;6-7,9H,4-5H2,1-3H3,(H,10,11);(H,6,7);1-2H3;1H4/p+1/t2*13-,18+;12-,17+;13-,14?,18+;11-,15+;8-;6-,7+;;;/m0000010.../s1
InChIKeySZEXVWWFAYVRCR-IVTAGWBOSA-O
MW2069.82 g/mol
LogP27.01
Rot. Bonds38

About 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

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 (PubChem CID 157172983) has the molecular formula C120H174F3N18O9+ and a molecular weight of 2069.82 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethane;(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
PubChem CID157172983
Molecular FormulaC120H174F3N18O9+
Molecular Weight2069.82 g/mol
Exact Mass2068.37
IUPAC Nameethane;(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
SMILESC.CC.CC[C@H](C)C[C@@H](N)c1nc(C)c(-c2c[nH]c3ccccc23)o1.CC[C@H](C)C[C@@H](NC)C(=O)NC(C)Cc1c[nH]c2ccccc12.CC[C@H](C)C[C@@H](NC)C(=O)O.CC[C@H](C)C[C@@H](NC)c1nc(C)c(-c2c[nH]c3ccccc23)o1.CC[C@H](C)C[C@H](c1nc(C)c(-c2c[nH]c3ccccc23)o1)N(C)C.CC[C@H](C)C[C@H](c1nc(C)c(-c2c[nH]c3ccccc23)o1)[NH+](C)C.C[C@@H](N)Cc1c[nH]c2ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/2C20H27N3O.C19H25N3O.C19H29N3O.C18H23N3O.C11H14N2.C8H17NO2.C2HF3O2.C2H6.CH4/c2*1-6-13(2)11-18(23(4)5)20-22-14(3)19(24-20)16-12-21-17-10-8-7-9-15(16)17;1-5-12(2)10-17(20-4)19-22-13(3)18(23-19)15-11-21-16-9-7-6-8-14(15)16;1-5-13(2)10-18(20-4)19(23)22-14(3)11-15-12-21-17-9-7-6-8-16(15)17;1-4-11(2)9-15(19)18-21-12(3)17(22-18)14-10-20-16-8-6-5-7-13(14)16;1-8(12)6-9-7-13-11-5-3-2-4-10(9)11;1-4-6(2)5-7(9-3)8(10)11;3-2(4,5)1(6)7;1-2;/h2*7-10,12-13,18,21H,6,11H2,1-5H3;6-9,11-12,17,20-21H,5,10H2,1-4H3;6-9,12-14,18,20-21H,5,10-11H2,1-4H3,(H,22,23);5-8,10-11,15,20H,4,9,19H2,1-3H3;2-5,7-8,13H,6,12H2,1H3;6-7,9H,4-5H2,1-3H3,(H,10,11);(H,6,7);1-2H3;1H4/p+1/t2*13-,18+;12-,17+;13-,14?,18+;11-,15+;8-;6-,7+;;;/m0000010.../s1
InChIKeySZEXVWWFAYVRCR-IVTAGWBOSA-O
XLogP27.01
TPSA398.37 Ų
H-Bond Donors15
H-Bond Acceptors17
Rotatable Bonds38
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002069.82
LogP ≤ 527.01
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1017

Analyze 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 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

(2S)-2-[[4-[[(2S)-2-[[4-[2-[2-[[4-[[(1S)-2-[4-[[(1S)-1-carboxy-3-methyl-butyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-4-oxo-butanoyl]amino]ethoxy]ethylamino]-4-oxo-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-4-methyl-pentanoic acid
CID 162669729
(2S)-2-[[4-[[(2S)-2-[[4-[4-[2-[[4-[[(1S)-2-[4-[[(1S)-1-carboxy-3-methyl-butyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-4-oxo-butanoyl]amino]ethoxy]butylamino]-4-oxo-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-4-methyl-pentanoic acid
CID 163201779
(2S)-2-[[4-[[(2S)-2-[[4-[8-[2-[[4-[[(1S)-2-[4-[[(1S)-1-carboxy-3-methyl-butyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-4-oxo-butanoyl]amino]ethoxy]octylamino]-4-oxo-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-4-methyl-pentanoic acid
CID 163201786
(2S)-2-[[4-[[(2S)-2-[[4-[2-[[[4-[[(1S)-2-[4-[[(1S)-1-carboxy-3-methyl-butyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-4-oxo-butanoyl]amino]methoxy]ethylamino]-4-oxo-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-4-methyl-pentanoic acid
CID 163201795
(2S)-2-[[4-[[(2S)-2-[[4-[10-[2-[[4-[[(1S)-2-[4-[[(1S)-1-carboxy-3-methyl-butyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-4-oxo-butanoyl]amino]ethoxy]decylamino]-4-oxo-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-4-methyl-pentanoic acid
CID 163202169
(2S)-2-[[4-[[(2S)-2-[[4-[6-[2-[[4-[[(1S)-2-[4-[[(1S)-1-carboxy-3-methyl-butyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-4-oxo-butanoyl]amino]ethoxy]hexylamino]-4-oxo-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-4-methyl-pentanoic acid
CID 163202403
(2S)-2-[[4-[[(2S)-2-[[4-[12-[2-[[4-[[(1S)-2-[4-[[(1S)-1-carboxy-3-methyl-butyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-4-oxo-butanoyl]amino]ethoxy]dodecylamino]-4-oxo-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-4-methyl-pentanoic acid
CID 163202466
4-[[(2S,4S)-4-fluoro-1-[2-[7-fluoro-2-(1-methylindol-3-yl)-1,3-benzoxazol-6-yl]acetyl]pyrrolidin-2-yl]methylamino]cyclohexane-1-carboxylic acid
CID 58778907
(2S)-2-[[5-(1-methylindol-3-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl]amino]-3-phenylmethoxypropanoic acid
CID 60056167
2-[[5-(1-Methylindol-3-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl]amino]-3-phenylmethoxypropanoic acid
CID 69756453
(1R,3R)-1-[5-(1H-indol-3-yl)-4-methyl-1,3-oxazol-2-yl]-N,3-dimethylpentan-1-amine;2,2,2-trifluoroacetic acid
CID 90817134
(1S,3R)-1-[5-(1H-indol-3-yl)-4-methyl-1,3-oxazol-2-yl]-N,3-dimethylpentan-1-amine;2,2,2-trifluoroacetic acid
CID 91021323

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.CC.CC[C@H](C)C[C@@H](N)c1nc(C)c(-c2c[nH]c3ccccc23)o1.CC[C@H](C)C[C@@H](NC)C(=O)NC(C)Cc1c[nH]c2ccccc12.CC[C@H](C)C[C@@H](NC)C(=O)O.CC[C@H](C)C[C@@H](NC)c1nc(C)c(-c2c[nH]c3ccccc23)o1.CC[C@H](C)C[C@H](c1nc(C)c(-c2c[nH]c3ccccc23)o1)N(C)C.CC[C@H](C)C[C@H](c1nc(C)c(-c2c[nH]c3ccccc23)o1)[NH+](C)C.C[C@@H](N)Cc1c[nH]c2ccccc12.O=C(O)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is SZEXVWWFAYVRCR-IVTAGWBOSA-O. The full InChI is InChI=1S/2C20H27N3O.C19H25N3O.C19H29N3O.C18H23N3O.C11H14N2.C8H17NO2.C2HF3O2.C2H6.CH4/c2*1-6-13(2)11-18(23(4)5)20-22-14(3)19(24-20)16-12-21-17-10-8-7-9-15(16)17;1-5-12(2)10-17(20-4)19-22-13(3)18(23-19)15-11-21-16-9-7-6-8-14(15)16;1-5-13(2)10-18(20-4)19(23)22-14(3)11-15-12-21-17-9-7-6-8-16(15)17;1-4-11(2)9-15(19)18-21-12(3)17(22-18)14-10-20-16-8-6-5-7-13(14)16;1-8(12)6-9-7-13-11-5-3-2-4-10(9)11;1-4-6(2)5-7(9-3)8(10)11;3-2(4,5)1(6)7;1-2;/h2*7-10,12-13,18,21H,6,11H2,1-5H3;6-9,11-12,17,20-21H,5,10H2,1-4H3;6-9,12-14,18,20-21H,5,10-11H2,1-4H3,(H,22,23);5-8,10-11,15,20H,4,9,19H2,1-3H3;2-5,7-8,13H,6,12H2,1H3;6-7,9H,4-5H2,1-3H3,(H,10,11);(H,6,7);1-2H3;1H4/p+1/t2*13-,18+;12-,17+;13-,14?,18+;11-,15+;8-;6-,7+;;;/m0000010.../s1.
What are the key properties of 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?
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 has a molecular weight of 2069.82 g/mol, XLogP of 27.01, 38 rotatable bonds, 15 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157172983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).