tert-butyl N-[(2S)-1-hydroxy-1-[5-[4-(trifluoromethoxy)cyclohexyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamate

C18H28F3N3O5 — CID 143041323

IUPACtert-butyl N-[(2S)-1-hydroxy-1-[5-[4-(trifluoromethoxy)cyclohexyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamate
SMILESCC[C@H](NC(=O)OC(C)(C)C)C(O)c1nnc(C2CCC(OC(F)(F)F)CC2)o1
InChIInChI=1S/C18H28F3N3O5/c1-5-12(22-16(26)29-17(2,3)4)13(25)15-24-23-14(27-15)10-6-8-11(9-7-10)28-18(19,20)21/h10-13,25H,5-9H2,1-4H3,(H,22,26)/t10?,11?,12-,13?/m0/s1
InChIKeyOVZFELXVNKTGLS-ARAJFMJPSA-N
MW423.43 g/mol
LogP3.97
Rot. Bonds6

About tert-butyl N-[(2S)-1-hydroxy-1-[5-[4-(trifluoromethoxy)cyclohexyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamate

tert-butyl N-[(2S)-1-hydroxy-1-[5-[4-(trifluoromethoxy)cyclohexyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamate (PubChem CID 143041323) has the molecular formula C18H28F3N3O5 and a molecular weight of 423.43 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-hydroxy-1-[5-[4-(trifluoromethoxy)cyclohexyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-hydroxy-1-[5-[4-(trifluoromethoxy)cyclohexyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamate
PubChem CID143041323
Molecular FormulaC18H28F3N3O5
Molecular Weight423.43 g/mol
Exact Mass423.20
IUPAC Nametert-butyl N-[(2S)-1-hydroxy-1-[5-[4-(trifluoromethoxy)cyclohexyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamate
SMILESCC[C@H](NC(=O)OC(C)(C)C)C(O)c1nnc(C2CCC(OC(F)(F)F)CC2)o1
InChIInChI=1S/C18H28F3N3O5/c1-5-12(22-16(26)29-17(2,3)4)13(25)15-24-23-14(27-15)10-6-8-11(9-7-10)28-18(19,20)21/h10-13,25H,5-9H2,1-4H3,(H,22,26)/t10?,11?,12-,13?/m0/s1
InChIKeyOVZFELXVNKTGLS-ARAJFMJPSA-N
XLogP3.97
TPSA106.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[(2S)-1-hydroxy-1-[5-[4-(trifluoromethoxy)cyclohexyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(2S)-1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-hydroxybutan-2-yl]-N-methylcarbamate
CID 143041288
tert-butyl N-[1-hydroxy-1-(1,3-oxazol-2-yl)butan-2-yl]carbamate
CID 21025725
tert-butyl N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]carbamate
CID 69427301
tert-butyl N-[(1S,2S)-1-(1,3-benzoxazol-2-yl)-1-hydroxybutan-2-yl]carbamate
CID 129383705
tert-butyl N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]carbamate;[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methanamine;hydrochloride
CID 158390293
tert-butyl N-(1,1,1-trifluoro-4-hydroxypentan-3-yl)carbamate
CID 171802376
tert-butyl N-(1-amino-2-hydroxy-1-oxopentan-3-yl)carbamate
CID 143352872
tert-butyl N-[(2S)-1-hydroxy-1-[5-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazol-2-yl]butan-2-yl]carbamate
CID 68823743
tert-butyl N-(1,1,1-trifluoro-4-methylpentan-3-yl)carbamate
CID 58898105
(3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 125180154
tert-butyl N-[3-[5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]carbamate
CID 140804576
tert-butyl N-[3-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate
CID 110612163

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-hydroxy-1-[5-[4-(trifluoromethoxy)cyclohexyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-hydroxy-1-[5-[4-(trifluoromethoxy)cyclohexyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamate (CID 143041323) is tert-butyl N-[(2S)-1-hydroxy-1-[5-[4-(trifluoromethoxy)cyclohexyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-hydroxy-1-[5-[4-(trifluoromethoxy)cyclohexyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-hydroxy-1-[5-[4-(trifluoromethoxy)cyclohexyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamate is CC[C@H](NC(=O)OC(C)(C)C)C(O)c1nnc(C2CCC(OC(F)(F)F)CC2)o1.
What is the InChIKey of tert-butyl N-[(2S)-1-hydroxy-1-[5-[4-(trifluoromethoxy)cyclohexyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamate?
The InChIKey is OVZFELXVNKTGLS-ARAJFMJPSA-N. The full InChI is InChI=1S/C18H28F3N3O5/c1-5-12(22-16(26)29-17(2,3)4)13(25)15-24-23-14(27-15)10-6-8-11(9-7-10)28-18(19,20)21/h10-13,25H,5-9H2,1-4H3,(H,22,26)/t10?,11?,12-,13?/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-hydroxy-1-[5-[4-(trifluoromethoxy)cyclohexyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamate?
tert-butyl N-[(2S)-1-hydroxy-1-[5-[4-(trifluoromethoxy)cyclohexyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamate has a molecular weight of 423.43 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-hydroxy-1-[5-[4-(trifluoromethoxy)cyclohexyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamate is sourced from PubChem (CID 143041323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).