1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-tri(propan-2-yl)silylprop-2-yn-1-ol

C17H29NO2Si — CID 71246816

IUPAC1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-tri(propan-2-yl)silylprop-2-yn-1-ol
SMILESCc1noc(C)c1C(O)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H29NO2Si/c1-11(2)21(12(3)4,13(5)6)10-9-16(19)17-14(7)18-20-15(17)8/h11-13,16,19H,1-8H3
InChIKeyYKEOXUMPUWOWMR-UHFFFAOYSA-N
MW307.51 g/mol
LogP4.55
Rot. Bonds4

About 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-tri(propan-2-yl)silylprop-2-yn-1-ol

1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-tri(propan-2-yl)silylprop-2-yn-1-ol (PubChem CID 71246816) has the molecular formula C17H29NO2Si and a molecular weight of 307.51 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-tri(propan-2-yl)silylprop-2-yn-1-ol.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-tri(propan-2-yl)silylprop-2-yn-1-ol
PubChem CID71246816
Molecular FormulaC17H29NO2Si
Molecular Weight307.51 g/mol
Exact Mass307.20
IUPAC Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-tri(propan-2-yl)silylprop-2-yn-1-ol
SMILESCc1noc(C)c1C(O)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H29NO2Si/c1-11(2)21(12(3)4,13(5)6)10-9-16(19)17-14(7)18-20-15(17)8/h11-13,16,19H,1-8H3
InChIKeyYKEOXUMPUWOWMR-UHFFFAOYSA-N
XLogP4.55
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-tri(propan-2-yl)silylprop-2-yn-1-ol?
The IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-tri(propan-2-yl)silylprop-2-yn-1-ol (CID 71246816) is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-tri(propan-2-yl)silylprop-2-yn-1-ol.
What is the SMILES notation for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-tri(propan-2-yl)silylprop-2-yn-1-ol?
The canonical SMILES for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-tri(propan-2-yl)silylprop-2-yn-1-ol is Cc1noc(C)c1C(O)C#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-tri(propan-2-yl)silylprop-2-yn-1-ol?
The InChIKey is YKEOXUMPUWOWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2Si/c1-11(2)21(12(3)4,13(5)6)10-9-16(19)17-14(7)18-20-15(17)8/h11-13,16,19H,1-8H3.
What are the key properties of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-tri(propan-2-yl)silylprop-2-yn-1-ol?
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-tri(propan-2-yl)silylprop-2-yn-1-ol has a molecular weight of 307.51 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-tri(propan-2-yl)silylprop-2-yn-1-ol is sourced from PubChem (CID 71246816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).