tert-butyl N-[4-(5-trimethylsilyl-1,2-oxazol-3-yl)cyclohexyl]carbamate

C17H30N2O3Si — CID 140896602

IUPACtert-butyl N-[4-(5-trimethylsilyl-1,2-oxazol-3-yl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(c2cc([Si](C)(C)C)on2)CC1
InChIInChI=1S/C17H30N2O3Si/c1-17(2,3)21-16(20)18-13-9-7-12(8-10-13)14-11-15(22-19-14)23(4,5)6/h11-13H,7-10H2,1-6H3,(H,18,20)
InChIKeyDYMDCMOPOPHCON-UHFFFAOYSA-N
MW338.52 g/mol
LogP3.77
Rot. Bonds3

About tert-butyl N-[4-(5-trimethylsilyl-1,2-oxazol-3-yl)cyclohexyl]carbamate

tert-butyl N-[4-(5-trimethylsilyl-1,2-oxazol-3-yl)cyclohexyl]carbamate (PubChem CID 140896602) has the molecular formula C17H30N2O3Si and a molecular weight of 338.52 g/mol. Its IUPAC name is tert-butyl N-[4-(5-trimethylsilyl-1,2-oxazol-3-yl)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(5-trimethylsilyl-1,2-oxazol-3-yl)cyclohexyl]carbamate
PubChem CID140896602
Molecular FormulaC17H30N2O3Si
Molecular Weight338.52 g/mol
Exact Mass338.20
IUPAC Nametert-butyl N-[4-(5-trimethylsilyl-1,2-oxazol-3-yl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(c2cc([Si](C)(C)C)on2)CC1
InChIInChI=1S/C17H30N2O3Si/c1-17(2,3)21-16(20)18-13-9-7-12(8-10-13)14-11-15(22-19-14)23(4,5)6/h11-13H,7-10H2,1-6H3,(H,18,20)
InChIKeyDYMDCMOPOPHCON-UHFFFAOYSA-N
XLogP3.77
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(4-arsanylcyclohexyl)carbamate
CID 173124516
tert-butyl N-(4-aminooxycyclohexyl)carbamate
CID 22408668
tert-butyl N-[(1S,3S)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)amino]cyclopentyl]carbamate
CID 178169270
tert-butyl N-[(1R,3R)-3-[(5-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]carbamate
CID 146502731
[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium
CID 7021549
tert-butyl N-[4-(tert-butylamino)cyclohexyl]carbamate
CID 69286066
tert-butyl N-[1-(1-tert-butyl-3-cyclopropylpyrazole-5-carbonyl)piperidin-4-yl]carbamate
CID 55869656
tert-butyl N-[4-(oxiran-2-yl)cyclohexyl]carbamate
CID 87128955
tert-butyl N-[(1R,4S)-3-hydroxy-4-methylcyclohexyl]carbamate
CID 118263188
tert-butyl N-[(1R,3R)-3-hydroxy-4-methylcyclohexyl]carbamate
CID 118263190
tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985
tert-butyl N-[4-(4-carbamoyloxyphenyl)cyclohexyl]carbamate
CID 174567449

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(5-trimethylsilyl-1,2-oxazol-3-yl)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(5-trimethylsilyl-1,2-oxazol-3-yl)cyclohexyl]carbamate (CID 140896602) is tert-butyl N-[4-(5-trimethylsilyl-1,2-oxazol-3-yl)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(5-trimethylsilyl-1,2-oxazol-3-yl)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(5-trimethylsilyl-1,2-oxazol-3-yl)cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(c2cc([Si](C)(C)C)on2)CC1.
What is the InChIKey of tert-butyl N-[4-(5-trimethylsilyl-1,2-oxazol-3-yl)cyclohexyl]carbamate?
The InChIKey is DYMDCMOPOPHCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3Si/c1-17(2,3)21-16(20)18-13-9-7-12(8-10-13)14-11-15(22-19-14)23(4,5)6/h11-13H,7-10H2,1-6H3,(H,18,20).
What are the key properties of tert-butyl N-[4-(5-trimethylsilyl-1,2-oxazol-3-yl)cyclohexyl]carbamate?
tert-butyl N-[4-(5-trimethylsilyl-1,2-oxazol-3-yl)cyclohexyl]carbamate has a molecular weight of 338.52 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(5-trimethylsilyl-1,2-oxazol-3-yl)cyclohexyl]carbamate is sourced from PubChem (CID 140896602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).