5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-2-cyclohexyl-1,3-benzoxazol-6-amine

C25H41N3O2Si — CID 174132742

IUPAC5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-2-cyclohexyl-1,3-benzoxazol-6-amine
SMILESCC(C)(C)[Si](C)(C)OCC1CCN(c2cc3nc(C4CCCCC4)oc3cc2N)CC1
InChIInChI=1S/C25H41N3O2Si/c1-25(2,3)31(4,5)29-17-18-11-13-28(14-12-18)22-16-21-23(15-20(22)26)30-24(27-21)19-9-7-6-8-10-19/h15-16,18-19H,6-14,17,26H2,1-5H3
InChIKeyVQYSQFITVLQSMC-UHFFFAOYSA-N
MW443.71 g/mol
LogP6.70
Rot. Bonds5

About 5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-2-cyclohexyl-1,3-benzoxazol-6-amine

5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-2-cyclohexyl-1,3-benzoxazol-6-amine (PubChem CID 174132742) has the molecular formula C25H41N3O2Si and a molecular weight of 443.71 g/mol. Its IUPAC name is 5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-2-cyclohexyl-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-2-cyclohexyl-1,3-benzoxazol-6-amine
PubChem CID174132742
Molecular FormulaC25H41N3O2Si
Molecular Weight443.71 g/mol
Exact Mass443.30
IUPAC Name5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-2-cyclohexyl-1,3-benzoxazol-6-amine
SMILESCC(C)(C)[Si](C)(C)OCC1CCN(c2cc3nc(C4CCCCC4)oc3cc2N)CC1
InChIInChI=1S/C25H41N3O2Si/c1-25(2,3)31(4,5)29-17-18-11-13-28(14-12-18)22-16-21-23(15-20(22)26)30-24(27-21)19-9-7-6-8-10-19/h15-16,18-19H,6-14,17,26H2,1-5H3
InChIKeyVQYSQFITVLQSMC-UHFFFAOYSA-N
XLogP6.70
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.71
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-2-cyclohexyl-1,3-benzoxazol-6-amine?
The IUPAC name of 5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-2-cyclohexyl-1,3-benzoxazol-6-amine (CID 174132742) is 5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-2-cyclohexyl-1,3-benzoxazol-6-amine.
What is the SMILES notation for 5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-2-cyclohexyl-1,3-benzoxazol-6-amine?
The canonical SMILES for 5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-2-cyclohexyl-1,3-benzoxazol-6-amine is CC(C)(C)[Si](C)(C)OCC1CCN(c2cc3nc(C4CCCCC4)oc3cc2N)CC1.
What is the InChIKey of 5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-2-cyclohexyl-1,3-benzoxazol-6-amine?
The InChIKey is VQYSQFITVLQSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N3O2Si/c1-25(2,3)31(4,5)29-17-18-11-13-28(14-12-18)22-16-21-23(15-20(22)26)30-24(27-21)19-9-7-6-8-10-19/h15-16,18-19H,6-14,17,26H2,1-5H3.
What are the key properties of 5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-2-cyclohexyl-1,3-benzoxazol-6-amine?
5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-2-cyclohexyl-1,3-benzoxazol-6-amine has a molecular weight of 443.71 g/mol, XLogP of 6.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-2-cyclohexyl-1,3-benzoxazol-6-amine is sourced from PubChem (CID 174132742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).