N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide

C26H39N5O4Si — CID 153437220

IUPACN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide
SMILESCc1oc(CCN(CCO[Si](C)(C)C(C)(C)C)C(=O)c2ccccc2-n2nccn2)nc1C(C)(C)O
InChIInChI=1S/C26H39N5O4Si/c1-19-23(26(5,6)33)29-22(35-19)13-16-30(17-18-34-36(7,8)25(2,3)4)24(32)20-11-9-10-12-21(20)31-27-14-15-28-31/h9-12,14-15,33H,13,16-18H2,1-8H3
InChIKeyYVFTWBVRCOQTAO-UHFFFAOYSA-N
MW513.72 g/mol
LogP4.50
Rot. Bonds10

About N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide

N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide (PubChem CID 153437220) has the molecular formula C26H39N5O4Si and a molecular weight of 513.72 g/mol. Its IUPAC name is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide
PubChem CID153437220
Molecular FormulaC26H39N5O4Si
Molecular Weight513.72 g/mol
Exact Mass513.28
IUPAC NameN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide
SMILESCc1oc(CCN(CCO[Si](C)(C)C(C)(C)C)C(=O)c2ccccc2-n2nccn2)nc1C(C)(C)O
InChIInChI=1S/C26H39N5O4Si/c1-19-23(26(5,6)33)29-22(35-19)13-16-30(17-18-34-36(7,8)25(2,3)4)24(32)20-11-9-10-12-21(20)31-27-14-15-28-31/h9-12,14-15,33H,13,16-18H2,1-8H3
InChIKeyYVFTWBVRCOQTAO-UHFFFAOYSA-N
XLogP4.50
TPSA106.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.72
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide?
The IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide (CID 153437220) is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide.
What is the SMILES notation for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide?
The canonical SMILES for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide is Cc1oc(CCN(CCO[Si](C)(C)C(C)(C)C)C(=O)c2ccccc2-n2nccn2)nc1C(C)(C)O.
What is the InChIKey of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide?
The InChIKey is YVFTWBVRCOQTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N5O4Si/c1-19-23(26(5,6)33)29-22(35-19)13-16-30(17-18-34-36(7,8)25(2,3)4)24(32)20-11-9-10-12-21(20)31-27-14-15-28-31/h9-12,14-15,33H,13,16-18H2,1-8H3.
What are the key properties of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide?
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide has a molecular weight of 513.72 g/mol, XLogP of 4.50, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 153437220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).