N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-4-(2,6-dichlorophenyl)-N-ethyl-5-oxotetrazole-1-carboxamide

C23H29Cl2N5O3Si — CID 58502117

IUPACN-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-4-(2,6-dichlorophenyl)-N-ethyl-5-oxotetrazole-1-carboxamide
SMILESCCN(C(=O)n1nnn(-c2c(Cl)cccc2Cl)c1=O)c1cccc(CO[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C23H29Cl2N5O3Si/c1-7-28(17-11-8-10-16(14-17)15-33-34(5,6)23(2,3)4)21(31)30-22(32)29(26-27-30)20-18(24)12-9-13-19(20)25/h8-14H,7,15H2,1-6H3
InChIKeyXXUHEZAMGCVVNM-UHFFFAOYSA-N
MW522.51 g/mol
LogP5.75
Rot. Bonds6

About N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-4-(2,6-dichlorophenyl)-N-ethyl-5-oxotetrazole-1-carboxamide

N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-4-(2,6-dichlorophenyl)-N-ethyl-5-oxotetrazole-1-carboxamide (PubChem CID 58502117) has the molecular formula C23H29Cl2N5O3Si and a molecular weight of 522.51 g/mol. Its IUPAC name is N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-4-(2,6-dichlorophenyl)-N-ethyl-5-oxotetrazole-1-carboxamide.

Molecular Properties

Compound NameN-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-4-(2,6-dichlorophenyl)-N-ethyl-5-oxotetrazole-1-carboxamide
PubChem CID58502117
Molecular FormulaC23H29Cl2N5O3Si
Molecular Weight522.51 g/mol
Exact Mass521.14
IUPAC NameN-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-4-(2,6-dichlorophenyl)-N-ethyl-5-oxotetrazole-1-carboxamide
SMILESCCN(C(=O)n1nnn(-c2c(Cl)cccc2Cl)c1=O)c1cccc(CO[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C23H29Cl2N5O3Si/c1-7-28(17-11-8-10-16(14-17)15-33-34(5,6)23(2,3)4)21(31)30-22(32)29(26-27-30)20-18(24)12-9-13-19(20)25/h8-14H,7,15H2,1-6H3
InChIKeyXXUHEZAMGCVVNM-UHFFFAOYSA-N
XLogP5.75
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.51
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-4-(2,6-dichlorophenyl)-N-ethyl-5-oxotetrazole-1-carboxamide 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-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-4-(2,6-dichlorophenyl)-N-ethyl-5-oxotetrazole-1-carboxamide?
The IUPAC name of N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-4-(2,6-dichlorophenyl)-N-ethyl-5-oxotetrazole-1-carboxamide (CID 58502117) is N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-4-(2,6-dichlorophenyl)-N-ethyl-5-oxotetrazole-1-carboxamide.
What is the SMILES notation for N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-4-(2,6-dichlorophenyl)-N-ethyl-5-oxotetrazole-1-carboxamide?
The canonical SMILES for N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-4-(2,6-dichlorophenyl)-N-ethyl-5-oxotetrazole-1-carboxamide is CCN(C(=O)n1nnn(-c2c(Cl)cccc2Cl)c1=O)c1cccc(CO[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-4-(2,6-dichlorophenyl)-N-ethyl-5-oxotetrazole-1-carboxamide?
The InChIKey is XXUHEZAMGCVVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29Cl2N5O3Si/c1-7-28(17-11-8-10-16(14-17)15-33-34(5,6)23(2,3)4)21(31)30-22(32)29(26-27-30)20-18(24)12-9-13-19(20)25/h8-14H,7,15H2,1-6H3.
What are the key properties of N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-4-(2,6-dichlorophenyl)-N-ethyl-5-oxotetrazole-1-carboxamide?
N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-4-(2,6-dichlorophenyl)-N-ethyl-5-oxotetrazole-1-carboxamide has a molecular weight of 522.51 g/mol, XLogP of 5.75, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-4-(2,6-dichlorophenyl)-N-ethyl-5-oxotetrazole-1-carboxamide is sourced from PubChem (CID 58502117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).