CID 68926076

C29H45N2O4Si — CID 68926076

IUPAC—
SMILESC=CCc1ccc2c(CCC3CCN(C(=O)OC(C)(C)C)CC3)noc2c1C(O[Si](C)C)C(C)(C)C
InChIInChI=1S/C29H45N2O4Si/c1-10-11-21-13-14-22-23(30-34-25(22)24(21)26(28(2,3)4)35-36(8)9)15-12-20-16-18-31(19-17-20)27(32)33-29(5,6)7/h10,13-14,20,26H,1,11-12,15-19H2,2-9H3
InChIKeyFCOGAIDTWUJJOU-UHFFFAOYSA-N
MW513.78 g/mol
LogP7.49
Rot. Bonds8

About CID 68926076

CID 68926076 (PubChem CID 68926076) has the molecular formula C29H45N2O4Si and a molecular weight of 513.78 g/mol.

Molecular Properties

Compound NameCID 68926076
PubChem CID68926076
Molecular FormulaC29H45N2O4Si
Molecular Weight513.78 g/mol
Exact Mass513.31
IUPAC Name—
SMILESC=CCc1ccc2c(CCC3CCN(C(=O)OC(C)(C)C)CC3)noc2c1C(O[Si](C)C)C(C)(C)C
InChIInChI=1S/C29H45N2O4Si/c1-10-11-21-13-14-22-23(30-34-25(22)24(21)26(28(2,3)4)35-36(8)9)15-12-20-16-18-31(19-17-20)27(32)33-29(5,6)7/h10,13-14,20,26H,1,11-12,15-19H2,2-9H3
InChIKeyFCOGAIDTWUJJOU-UHFFFAOYSA-N
XLogP7.49
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.78
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze CID 68926076 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

CID 68922179
CID 68922179
CID 68925535
CID 68925535
CID 68920342
CID 68920342
tert-butyl 4-[2-(6-butyl-7-methyl-1,2-benzoxazol-3-yl)ethyl]piperidine-1-carboxylate
CID 68922233
tert-butyl 4-[2-[7-methyl-6-(3-methylbut-2-enyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;N-methylmethanamine
CID 68920129
CID 68918734
CID 68918734
tert-butyl 4-[2-[7-methyl-6-(prop-1-en-2-ylamino)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;ethane;prop-1-ene
CID 143570526
tert-butyl 4-[2-[6-(cyclopropylmethoxy)-7-(hydroxymethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate
CID 58018377
tert-butyl 4-[2-(6-benzyl-7-methyl-1,2-benzoxazol-3-yl)ethyl]piperidine-1-carboxylate;N-methylmethanamine
CID 68924966
tert-butyl 4-[2-[7-methyl-6-(pyridin-2-ylmethoxy)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate
CID 68920979
tert-butyl 4-[2-[6-(cyclopropylmethoxy)-7-[(dimethylamino)methyl]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate
CID 58018658
tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-hydroxyethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate
CID 58018713

Frequently Asked Questions

What is the IUPAC name of CID 68926076?
The IUPAC name of CID 68926076 (CID 68926076) is not available.
What is the SMILES notation for CID 68926076?
The canonical SMILES for CID 68926076 is C=CCc1ccc2c(CCC3CCN(C(=O)OC(C)(C)C)CC3)noc2c1C(O[Si](C)C)C(C)(C)C.
What is the InChIKey of CID 68926076?
The InChIKey is FCOGAIDTWUJJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H45N2O4Si/c1-10-11-21-13-14-22-23(30-34-25(22)24(21)26(28(2,3)4)35-36(8)9)15-12-20-16-18-31(19-17-20)27(32)33-29(5,6)7/h10,13-14,20,26H,1,11-12,15-19H2,2-9H3.
What are the key properties of CID 68926076?
CID 68926076 has a molecular weight of 513.78 g/mol, XLogP of 7.49, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68926076 is sourced from PubChem (CID 68926076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).