CID 68918734

C26H35N2O5Si — CID 68918734

IUPAC—
SMILESC[Si](C)OC(c1c(-c2ccco2)ccc2c(CCC3CCN(C(=O)O)CC3)noc12)C(C)(C)C
InChIInChI=1S/C26H35N2O5Si/c1-26(2,3)24(33-34(4)5)22-19(21-7-6-16-31-21)10-9-18-20(27-32-23(18)22)11-8-17-12-14-28(15-13-17)25(29)30/h6-7,9-10,16-17,24H,8,11-15H2,1-5H3,(H,29,30)
InChIKeyHYVQIECHZSDBRQ-UHFFFAOYSA-N
MW483.66 g/mol
LogP6.77
Rot. Bonds7

About CID 68918734

CID 68918734 (PubChem CID 68918734) has the molecular formula C26H35N2O5Si and a molecular weight of 483.66 g/mol.

Molecular Properties

Compound NameCID 68918734
PubChem CID68918734
Molecular FormulaC26H35N2O5Si
Molecular Weight483.66 g/mol
Exact Mass483.23
IUPAC Name—
SMILESC[Si](C)OC(c1c(-c2ccco2)ccc2c(CCC3CCN(C(=O)O)CC3)noc12)C(C)(C)C
InChIInChI=1S/C26H35N2O5Si/c1-26(2,3)24(33-34(4)5)22-19(21-7-6-16-31-21)10-9-18-20(27-32-23(18)22)11-8-17-12-14-28(15-13-17)25(29)30/h6-7,9-10,16-17,24H,8,11-15H2,1-5H3,(H,29,30)
InChIKeyHYVQIECHZSDBRQ-UHFFFAOYSA-N
XLogP6.77
TPSA88.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.66
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 68922974
CID 68922974
CID 68926076
CID 68926076
CID 68922179
CID 68922179
CID 68925535
CID 68925535
4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-pyridin-3-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylic acid
CID 68925201
4-[2-(7-methyl-6-prop-1-ynyl-1,2-benzoxazol-3-yl)ethyl]piperidine-1-carboxylic acid
CID 68924980
4-[2-[6-ethenyl-7-(hydroxymethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylic acid
CID 68923403
4-[2-[6-[(2-cyanophenyl)methoxy]-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylic acid
CID 68921080
4-[2-[7-[(dimethylamino)methyl]-6-(oxolan-3-ylmethoxy)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylic acid
CID 68925323
N-methylmethanamine;4-[2-[7-methyl-6-(thiophen-2-ylmethoxy)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylic acid
CID 68922369
[(1R,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanol;4-[2-[6-[[(1R,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methoxy]-7-(hydroxymethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylic acid
CID 87665475
4-[2-[7-[(dimethylamino)methyl]-6-prop-1-ynyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylic acid
CID 68924976

Frequently Asked Questions

What is the IUPAC name of CID 68918734?
The IUPAC name of CID 68918734 (CID 68918734) is not available.
What is the SMILES notation for CID 68918734?
The canonical SMILES for CID 68918734 is C[Si](C)OC(c1c(-c2ccco2)ccc2c(CCC3CCN(C(=O)O)CC3)noc12)C(C)(C)C.
What is the InChIKey of CID 68918734?
The InChIKey is HYVQIECHZSDBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N2O5Si/c1-26(2,3)24(33-34(4)5)22-19(21-7-6-16-31-21)10-9-18-20(27-32-23(18)22)11-8-17-12-14-28(15-13-17)25(29)30/h6-7,9-10,16-17,24H,8,11-15H2,1-5H3,(H,29,30).
What are the key properties of CID 68918734?
CID 68918734 has a molecular weight of 483.66 g/mol, XLogP of 6.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68918734 is sourced from PubChem (CID 68918734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).