5-[5-[3-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]oxy-5-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]pyrazin-2-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

C30H38N8O6Si — CID 70869136

IUPAC5-[5-[3-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]oxy-5-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]pyrazin-2-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(-c2cnc(Oc3cc(OC4(CO[Si](C)(C)C(C)(C)C)CCC4)cc(C(=O)Nc4ccn(C)n4)c3)cn2)n1
InChIInChI=1S/C30H38N8O6Si/c1-29(2,3)45(6,7)41-18-30(10-8-11-30)43-21-14-19(26(39)34-23-9-12-38(5)36-23)13-20(15-21)42-24-17-32-22(16-33-24)28-35-25(37-44-28)27(40)31-4/h9,12-17H,8,10-11,18H2,1-7H3,(H,31,40)(H,34,36,39)
InChIKeyNHGZGQRFNGXDRF-UHFFFAOYSA-N
MW634.77 g/mol
LogP4.99
Rot. Bonds11

About 5-[5-[3-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]oxy-5-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]pyrazin-2-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

5-[5-[3-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]oxy-5-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]pyrazin-2-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 70869136) has the molecular formula C30H38N8O6Si and a molecular weight of 634.77 g/mol. Its IUPAC name is 5-[5-[3-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]oxy-5-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]pyrazin-2-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-[3-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]oxy-5-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]pyrazin-2-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID70869136
Molecular FormulaC30H38N8O6Si
Molecular Weight634.77 g/mol
Exact Mass634.27
IUPAC Name5-[5-[3-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]oxy-5-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]pyrazin-2-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(-c2cnc(Oc3cc(OC4(CO[Si](C)(C)C(C)(C)C)CCC4)cc(C(=O)Nc4ccn(C)n4)c3)cn2)n1
InChIInChI=1S/C30H38N8O6Si/c1-29(2,3)45(6,7)41-18-30(10-8-11-30)43-21-14-19(26(39)34-23-9-12-38(5)36-23)13-20(15-21)42-24-17-32-22(16-33-24)28-35-25(37-44-28)27(40)31-4/h9,12-17H,8,10-11,18H2,1-7H3,(H,31,40)(H,34,36,39)
InChIKeyNHGZGQRFNGXDRF-UHFFFAOYSA-N
XLogP4.99
TPSA168.41 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.77
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[3-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]oxy-5-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]pyrazin-2-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[5-[3-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]oxy-5-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]pyrazin-2-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide (CID 70869136) is 5-[5-[3-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]oxy-5-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]pyrazin-2-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[5-[3-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]oxy-5-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]pyrazin-2-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[5-[3-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]oxy-5-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]pyrazin-2-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide is CNC(=O)c1noc(-c2cnc(Oc3cc(OC4(CO[Si](C)(C)C(C)(C)C)CCC4)cc(C(=O)Nc4ccn(C)n4)c3)cn2)n1.
What is the InChIKey of 5-[5-[3-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]oxy-5-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]pyrazin-2-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is NHGZGQRFNGXDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N8O6Si/c1-29(2,3)45(6,7)41-18-30(10-8-11-30)43-21-14-19(26(39)34-23-9-12-38(5)36-23)13-20(15-21)42-24-17-32-22(16-33-24)28-35-25(37-44-28)27(40)31-4/h9,12-17H,8,10-11,18H2,1-7H3,(H,31,40)(H,34,36,39).
What are the key properties of 5-[5-[3-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]oxy-5-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]pyrazin-2-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
5-[5-[3-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]oxy-5-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]pyrazin-2-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 634.77 g/mol, XLogP of 4.99, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]oxy-5-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]pyrazin-2-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 70869136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).