(1S)-1-[1-[(1R)-1-[5-[4-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethynyl]phenyl]-1,2-oxazol-3-yl]propyl]imidazol-2-yl]ethanol;[(1S)-1-[1-[(1R)-1-[5-[4-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethynyl]phenyl]-1,2-oxazol-3-yl]propyl]imidazol-2-yl]ethoxy]-tert-butyl-dimethylsilane

C54H66N8O4Si — CID 163683390

IUPAC(1S)-1-[1-[(1R)-1-[5-[4-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethynyl]phenyl]-1,2-oxazol-3-yl]propyl]imidazol-2-yl]ethanol;[(1S)-1-[1-[(1R)-1-[5-[4-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethynyl]phenyl]-1,2-oxazol-3-yl]propyl]imidazol-2-yl]ethoxy]-tert-butyl-dimethylsilane
SMILESCC[C@H](c1cc(-c2ccc(C#CC3[C@H]4CNC[C@@H]34)cc2)on1)n1ccnc1[C@H](C)O.CC[C@H](c1cc(-c2ccc(C#CC3[C@H]4CNC[C@@H]34)cc2)on1)n1ccnc1[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C30H40N4O2Si.C24H26N4O2/c1-8-27(34-16-15-32-29(34)20(2)36-37(6,7)30(3,4)5)26-17-28(35-33-26)22-12-9-21(10-13-22)11-14-23-24-18-31-19-25(23)24;1-3-22(28-11-10-26-24(28)15(2)29)21-12-23(30-27-21)17-7-4-16(5-8-17)6-9-18-19-13-25-14-20(18)19/h9-10,12-13,15-17,20,23-25,27,31H,8,18-19H2,1-7H3;4-5,7-8,10-12,15,18-20,22,25,29H,3,13-14H2,1-2H3/t20-,23?,24-,25+,27+;15-,18?,19-,20+,22+/m00/s1
InChIKeyJMSYGUJIWMPSQT-AAPBKXPKSA-N
MW919.26 g/mol
LogP9.84
Rot. Bonds12

About (1S)-1-[1-[(1R)-1-[5-[4-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethynyl]phenyl]-1,2-oxazol-3-yl]propyl]imidazol-2-yl]ethanol;[(1S)-1-[1-[(1R)-1-[5-[4-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethynyl]phenyl]-1,2-oxazol-3-yl]propyl]imidazol-2-yl]ethoxy]-tert-butyl-dimethylsilane

(1S)-1-[1-[(1R)-1-[5-[4-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethynyl]phenyl]-1,2-oxazol-3-yl]propyl]imidazol-2-yl]ethanol;[(1S)-1-[1-[(1R)-1-[5-[4-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethynyl]phenyl]-1,2-oxazol-3-yl]propyl]imidazol-2-yl]ethoxy]-tert-butyl-dimethylsilane (PubChem CID 163683390) has the molecular formula C54H66N8O4Si and a molecular weight of 919.26 g/mol. Its IUPAC name is (1S)-1-[1-[(1R)-1-[5-[4-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethynyl]phenyl]-1,2-oxazol-3-yl]propyl]imidazol-2-yl]ethanol;[(1S)-1-[1-[(1R)-1-[5-[4-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethynyl]phenyl]-1,2-oxazol-3-yl]propyl]imidazol-2-yl]ethoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(1S)-1-[1-[(1R)-1-[5-[4-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethynyl]phenyl]-1,2-oxazol-3-yl]propyl]imidazol-2-yl]ethanol;[(1S)-1-[1-[(1R)-1-[5-[4-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethynyl]phenyl]-1,2-oxazol-3-yl]propyl]imidazol-2-yl]ethoxy]-tert-butyl-dimethylsilane
PubChem CID163683390
Molecular FormulaC54H66N8O4Si
Molecular Weight919.26 g/mol
Exact Mass918.50
IUPAC Name(1S)-1-[1-[(1R)-1-[5-[4-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethynyl]phenyl]-1,2-oxazol-3-yl]propyl]imidazol-2-yl]ethanol;[(1S)-1-[1-[(1R)-1-[5-[4-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethynyl]phenyl]-1,2-oxazol-3-yl]propyl]imidazol-2-yl]ethoxy]-tert-butyl-dimethylsilane
SMILESCC[C@H](c1cc(-c2ccc(C#CC3[C@H]4CNC[C@@H]34)cc2)on1)n1ccnc1[C@H](C)O.CC[C@H](c1cc(-c2ccc(C#CC3[C@H]4CNC[C@@H]34)cc2)on1)n1ccnc1[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C30H40N4O2Si.C24H26N4O2/c1-8-27(34-16-15-32-29(34)20(2)36-37(6,7)30(3,4)5)26-17-28(35-33-26)22-12-9-21(10-13-22)11-14-23-24-18-31-19-25(23)24;1-3-22(28-11-10-26-24(28)15(2)29)21-12-23(30-27-21)17-7-4-16(5-8-17)6-9-18-19-13-25-14-20(18)19/h9-10,12-13,15-17,20,23-25,27,31H,8,18-19H2,1-7H3;4-5,7-8,10-12,15,18-20,22,25,29H,3,13-14H2,1-2H3/t20-,23?,24-,25+,27+;15-,18?,19-,20+,22+/m00/s1
InChIKeyJMSYGUJIWMPSQT-AAPBKXPKSA-N
XLogP9.84
TPSA141.22 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500919.26
LogP ≤ 59.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze (1S)-1-[1-[(1R)-1-[5-[4-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethynyl]phenyl]-1,2-oxazol-3-yl]propyl]imidazol-2-yl]ethanol;[(1S)-1-[1-[(1R)-1-[5-[4-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethynyl]phenyl]-1,2-oxazol-3-yl]propyl]imidazol-2-yl]ethoxy]-tert-butyl-dimethylsilane 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

tert-butyl N-[(2R)-2-[5-[4-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethynyl]phenyl]-1,2-oxazol-3-yl]-2-[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]ethyl]carbamate
CID 166762242
(2S)-1-[(1S,5R)-6-[2-[4-[3-[(1R)-2-amino-1-[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]ethyl]-1,2-oxazol-5-yl]phenyl]ethynyl]-3-azabicyclo[3.1.0]hexan-3-yl]propan-2-ol
CID 162425512
tert-butyl 2-[[(1S,5R)-6-[2-[4-[3-[[2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]acetate
CID 163722928
1-[1-[2-amino-1-[5-[4-[2-(3-amino-1-bicyclo[1.1.1]pentanyl)ethynyl]phenyl]-1,2-oxazol-3-yl]ethyl]imidazol-2-yl]ethanol
CID 166757314
(1S)-1-[1-[[5-[4-[2-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)ethynyl]phenyl]-1,2-oxazol-3-yl]methyl]imidazol-2-yl]ethanol
CID 166762259
1-[(1R,5S)-6-[2-[4-[3-[[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-one
CID 163588660
3-[6-[2-[4-[3-[[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]-3-azabicyclo[3.1.0]hexan-3-yl]propanoic acid
CID 156761414
1-[(1R,5S)-6-[2-[4-[3-[[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-methoxypropan-2-ol
CID 162425466
4-[6-[2-[4-[3-[(1R)-2-amino-1-(2-ethylimidazol-1-yl)ethyl]-1,2-oxazol-5-yl]phenyl]ethynyl]-3-azabicyclo[3.1.0]hexan-3-yl]butanoic acid
CID 166762286
(1S)-1-[1-[[5-[4-(3,3-dimethylbut-1-ynyl)phenyl]-1,2-oxazol-3-yl]methyl]imidazol-2-yl]ethanol
CID 151682618
dipotassium;(1S)-1-[1-[[5-[4-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethynyl]phenyl]-1,2-oxazol-3-yl]methyl]imidazol-2-yl]ethanol;butyl 3-[(1S,5R)-6-[2-[4-[3-[[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]-3-azabicyclo[3.1.0]hexan-3-yl]propanoate;butyl prop-2-enoate;hydride;oxido formate
CID 163662466
1-[1-[[5-[4-[2-[(1R,2R)-2-(methoxymethyl)cyclopropyl]ethynyl]phenyl]-1,2-oxazol-3-yl]methyl]imidazol-2-yl]ethanol
CID 166757148

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-[(1R)-1-[5-[4-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethynyl]phenyl]-1,2-oxazol-3-yl]propyl]imidazol-2-yl]ethanol;[(1S)-1-[1-[(1R)-1-[5-[4-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethynyl]phenyl]-1,2-oxazol-3-yl]propyl]imidazol-2-yl]ethoxy]-tert-butyl-dimethylsilane?
The IUPAC name of (1S)-1-[1-[(1R)-1-[5-[4-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethynyl]phenyl]-1,2-oxazol-3-yl]propyl]imidazol-2-yl]ethanol;[(1S)-1-[1-[(1R)-1-[5-[4-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethynyl]phenyl]-1,2-oxazol-3-yl]propyl]imidazol-2-yl]ethoxy]-tert-butyl-dimethylsilane (CID 163683390) is (1S)-1-[1-[(1R)-1-[5-[4-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethynyl]phenyl]-1,2-oxazol-3-yl]propyl]imidazol-2-yl]ethanol;[(1S)-1-[1-[(1R)-1-[5-[4-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethynyl]phenyl]-1,2-oxazol-3-yl]propyl]imidazol-2-yl]ethoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for (1S)-1-[1-[(1R)-1-[5-[4-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethynyl]phenyl]-1,2-oxazol-3-yl]propyl]imidazol-2-yl]ethanol;[(1S)-1-[1-[(1R)-1-[5-[4-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethynyl]phenyl]-1,2-oxazol-3-yl]propyl]imidazol-2-yl]ethoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for (1S)-1-[1-[(1R)-1-[5-[4-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethynyl]phenyl]-1,2-oxazol-3-yl]propyl]imidazol-2-yl]ethanol;[(1S)-1-[1-[(1R)-1-[5-[4-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethynyl]phenyl]-1,2-oxazol-3-yl]propyl]imidazol-2-yl]ethoxy]-tert-butyl-dimethylsilane is CC[C@H](c1cc(-c2ccc(C#CC3[C@H]4CNC[C@@H]34)cc2)on1)n1ccnc1[C@H](C)O.CC[C@H](c1cc(-c2ccc(C#CC3[C@H]4CNC[C@@H]34)cc2)on1)n1ccnc1[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1S)-1-[1-[(1R)-1-[5-[4-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethynyl]phenyl]-1,2-oxazol-3-yl]propyl]imidazol-2-yl]ethanol;[(1S)-1-[1-[(1R)-1-[5-[4-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethynyl]phenyl]-1,2-oxazol-3-yl]propyl]imidazol-2-yl]ethoxy]-tert-butyl-dimethylsilane?
The InChIKey is JMSYGUJIWMPSQT-AAPBKXPKSA-N. The full InChI is InChI=1S/C30H40N4O2Si.C24H26N4O2/c1-8-27(34-16-15-32-29(34)20(2)36-37(6,7)30(3,4)5)26-17-28(35-33-26)22-12-9-21(10-13-22)11-14-23-24-18-31-19-25(23)24;1-3-22(28-11-10-26-24(28)15(2)29)21-12-23(30-27-21)17-7-4-16(5-8-17)6-9-18-19-13-25-14-20(18)19/h9-10,12-13,15-17,20,23-25,27,31H,8,18-19H2,1-7H3;4-5,7-8,10-12,15,18-20,22,25,29H,3,13-14H2,1-2H3/t20-,23?,24-,25+,27+;15-,18?,19-,20+,22+/m00/s1.
What are the key properties of (1S)-1-[1-[(1R)-1-[5-[4-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethynyl]phenyl]-1,2-oxazol-3-yl]propyl]imidazol-2-yl]ethanol;[(1S)-1-[1-[(1R)-1-[5-[4-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethynyl]phenyl]-1,2-oxazol-3-yl]propyl]imidazol-2-yl]ethoxy]-tert-butyl-dimethylsilane?
(1S)-1-[1-[(1R)-1-[5-[4-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethynyl]phenyl]-1,2-oxazol-3-yl]propyl]imidazol-2-yl]ethanol;[(1S)-1-[1-[(1R)-1-[5-[4-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethynyl]phenyl]-1,2-oxazol-3-yl]propyl]imidazol-2-yl]ethoxy]-tert-butyl-dimethylsilane has a molecular weight of 919.26 g/mol, XLogP of 9.84, 12 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-[(1R)-1-[5-[4-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethynyl]phenyl]-1,2-oxazol-3-yl]propyl]imidazol-2-yl]ethanol;[(1S)-1-[1-[(1R)-1-[5-[4-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethynyl]phenyl]-1,2-oxazol-3-yl]propyl]imidazol-2-yl]ethoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 163683390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).