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

C13H23N5O2Si — CID 67364198

IUPAC2-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl]triazol-4-amine
SMILESCC(C)(C)[Si](C)(C)OCc1nc(Cn2ncc(N)n2)co1
InChIInChI=1S/C13H23N5O2Si/c1-13(2,3)21(4,5)20-9-12-16-10(8-19-12)7-18-15-6-11(14)17-18/h6,8H,7,9H2,1-5H3,(H2,14,17)
InChIKeyPTTLRKDLNIDRPW-UHFFFAOYSA-N
MW309.45 g/mol
LogP2.42
Rot. Bonds5

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

2-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl]triazol-4-amine (PubChem CID 67364198) has the molecular formula C13H23N5O2Si and a molecular weight of 309.45 g/mol. Its IUPAC name is 2-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl]triazol-4-amine.

Molecular Properties

Compound Name2-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl]triazol-4-amine
PubChem CID67364198
Molecular FormulaC13H23N5O2Si
Molecular Weight309.45 g/mol
Exact Mass309.16
IUPAC Name2-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl]triazol-4-amine
SMILESCC(C)(C)[Si](C)(C)OCc1nc(Cn2ncc(N)n2)co1
InChIInChI=1S/C13H23N5O2Si/c1-13(2,3)21(4,5)20-9-12-16-10(8-19-12)7-18-15-6-11(14)17-18/h6,8H,7,9H2,1-5H3,(H2,14,17)
InChIKeyPTTLRKDLNIDRPW-UHFFFAOYSA-N
XLogP2.42
TPSA91.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 2-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl]triazol-4-amine?
The IUPAC name of 2-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl]triazol-4-amine (CID 67364198) is 2-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl]triazol-4-amine.
What is the SMILES notation for 2-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl]triazol-4-amine?
The canonical SMILES for 2-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl]triazol-4-amine is CC(C)(C)[Si](C)(C)OCc1nc(Cn2ncc(N)n2)co1.
What is the InChIKey of 2-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl]triazol-4-amine?
The InChIKey is PTTLRKDLNIDRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2Si/c1-13(2,3)21(4,5)20-9-12-16-10(8-19-12)7-18-15-6-11(14)17-18/h6,8H,7,9H2,1-5H3,(H2,14,17).
What are the key properties of 2-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl]triazol-4-amine?
2-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl]triazol-4-amine has a molecular weight of 309.45 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl]triazol-4-amine is sourced from PubChem (CID 67364198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).