butyl 2-cyclohexyl-5-(trimethylsilylmethyl)-1,3-oxazole-4-carboxylate

C18H31NO3Si — CID 101243597

IUPACbutyl 2-cyclohexyl-5-(trimethylsilylmethyl)-1,3-oxazole-4-carboxylate
SMILESCCCCOC(=O)c1nc(C2CCCCC2)oc1C[Si](C)(C)C
InChIInChI=1S/C18H31NO3Si/c1-5-6-12-21-18(20)16-15(13-23(2,3)4)22-17(19-16)14-10-8-7-9-11-14/h14H,5-13H2,1-4H3
InChIKeyUIXOLZWWQHFLAO-UHFFFAOYSA-N
MW337.54 g/mol
LogP5.10
Rot. Bonds7

About butyl 2-cyclohexyl-5-(trimethylsilylmethyl)-1,3-oxazole-4-carboxylate

butyl 2-cyclohexyl-5-(trimethylsilylmethyl)-1,3-oxazole-4-carboxylate (PubChem CID 101243597) has the molecular formula C18H31NO3Si and a molecular weight of 337.54 g/mol. Its IUPAC name is butyl 2-cyclohexyl-5-(trimethylsilylmethyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namebutyl 2-cyclohexyl-5-(trimethylsilylmethyl)-1,3-oxazole-4-carboxylate
PubChem CID101243597
Molecular FormulaC18H31NO3Si
Molecular Weight337.54 g/mol
Exact Mass337.21
IUPAC Namebutyl 2-cyclohexyl-5-(trimethylsilylmethyl)-1,3-oxazole-4-carboxylate
SMILESCCCCOC(=O)c1nc(C2CCCCC2)oc1C[Si](C)(C)C
InChIInChI=1S/C18H31NO3Si/c1-5-6-12-21-18(20)16-15(13-23(2,3)4)22-17(19-16)14-10-8-7-9-11-14/h14H,5-13H2,1-4H3
InChIKeyUIXOLZWWQHFLAO-UHFFFAOYSA-N
XLogP5.10
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.54
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl 2-cyclohexyl-5-(trimethylsilylmethyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of butyl 2-cyclohexyl-5-(trimethylsilylmethyl)-1,3-oxazole-4-carboxylate (CID 101243597) is butyl 2-cyclohexyl-5-(trimethylsilylmethyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for butyl 2-cyclohexyl-5-(trimethylsilylmethyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for butyl 2-cyclohexyl-5-(trimethylsilylmethyl)-1,3-oxazole-4-carboxylate is CCCCOC(=O)c1nc(C2CCCCC2)oc1C[Si](C)(C)C.
What is the InChIKey of butyl 2-cyclohexyl-5-(trimethylsilylmethyl)-1,3-oxazole-4-carboxylate?
The InChIKey is UIXOLZWWQHFLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO3Si/c1-5-6-12-21-18(20)16-15(13-23(2,3)4)22-17(19-16)14-10-8-7-9-11-14/h14H,5-13H2,1-4H3.
What are the key properties of butyl 2-cyclohexyl-5-(trimethylsilylmethyl)-1,3-oxazole-4-carboxylate?
butyl 2-cyclohexyl-5-(trimethylsilylmethyl)-1,3-oxazole-4-carboxylate has a molecular weight of 337.54 g/mol, XLogP of 5.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-cyclohexyl-5-(trimethylsilylmethyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 101243597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).