1-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl]pyrazol-4-amine

C14H24N4O2Si — CID 66928495

IUPAC1-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl]pyrazol-4-amine
SMILESCC(C)(C)[Si](C)(C)OCc1nc(Cn2cc(N)cn2)co1
InChIInChI=1S/C14H24N4O2Si/c1-14(2,3)21(4,5)20-10-13-17-12(9-19-13)8-18-7-11(15)6-16-18/h6-7,9H,8,10,15H2,1-5H3
InChIKeyQXPFOXIFOMXBPB-UHFFFAOYSA-N
MW308.46 g/mol
LogP3.02
Rot. Bonds5

About 1-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl]pyrazol-4-amine

1-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl]pyrazol-4-amine (PubChem CID 66928495) has the molecular formula C14H24N4O2Si and a molecular weight of 308.46 g/mol. Its IUPAC name is 1-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl]pyrazol-4-amine
PubChem CID66928495
Molecular FormulaC14H24N4O2Si
Molecular Weight308.46 g/mol
Exact Mass308.17
IUPAC Name1-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl]pyrazol-4-amine
SMILESCC(C)(C)[Si](C)(C)OCc1nc(Cn2cc(N)cn2)co1
InChIInChI=1S/C14H24N4O2Si/c1-14(2,3)21(4,5)20-10-13-17-12(9-19-13)8-18-7-11(15)6-16-18/h6-7,9H,8,10,15H2,1-5H3
InChIKeyQXPFOXIFOMXBPB-UHFFFAOYSA-N
XLogP3.02
TPSA79.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl]pyrazol-4-amine?
The IUPAC name of 1-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl]pyrazol-4-amine (CID 66928495) is 1-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl]pyrazol-4-amine?
The canonical SMILES for 1-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl]pyrazol-4-amine is CC(C)(C)[Si](C)(C)OCc1nc(Cn2cc(N)cn2)co1.
What is the InChIKey of 1-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl]pyrazol-4-amine?
The InChIKey is QXPFOXIFOMXBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2Si/c1-14(2,3)21(4,5)20-10-13-17-12(9-19-13)8-18-7-11(15)6-16-18/h6-7,9H,8,10,15H2,1-5H3.
What are the key properties of 1-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl]pyrazol-4-amine?
1-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl]pyrazol-4-amine has a molecular weight of 308.46 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl]pyrazol-4-amine is sourced from PubChem (CID 66928495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).