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

C15H25N3O3 — CID 166985995

IUPACtert-butyl N-methyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]carbamate
SMILESCc1nnc(C2CCC(N(C)C(=O)OC(C)(C)C)CC2)o1
InChIInChI=1S/C15H25N3O3/c1-10-16-17-13(20-10)11-6-8-12(9-7-11)18(5)14(19)21-15(2,3)4/h11-12H,6-9H2,1-5H3
InChIKeyAVASMXQYOONBBQ-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.27
Rot. Bonds2

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

tert-butyl N-methyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]carbamate (PubChem CID 166985995) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]carbamate
PubChem CID166985995
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Nametert-butyl N-methyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]carbamate
SMILESCc1nnc(C2CCC(N(C)C(=O)OC(C)(C)C)CC2)o1
InChIInChI=1S/C15H25N3O3/c1-10-16-17-13(20-10)11-6-8-12(9-7-11)18(5)14(19)21-15(2,3)4/h11-12H,6-9H2,1-5H3
InChIKeyAVASMXQYOONBBQ-UHFFFAOYSA-N
XLogP3.27
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(4-carbamoylcyclohexyl)-N-methylcarbamate
CID 91554229
tert-butyl N-[(2S)-1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-hydroxybutan-2-yl]-N-methylcarbamate
CID 143041288
tert-butyl N-methyl-N-[4-(methylamino)cyclohexyl]carbamate;hydrochloride
CID 18397394
methyl 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexane-1-carboxylate
CID 23062642
N-methyl-N-[(1R,3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclopentyl]-4-(4-methylphenyl)benzamide
CID 154653036
tert-butyl N-methyl-N-[(1S,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]carbamate
CID 87119309
tert-butyl N-[(3S)-3-aminocyclopentyl]-N-methylcarbamate
CID 146670008
3-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]propanoic acid
CID 22567910
tert-butyl N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]-N-methylcarbamate
CID 107255751
tert-butyl N-(dioxan-4-yl)-N-methylcarbamate
CID 175356667
tert-butyl N-[4-(3-bromopropoxy)cyclohexyl]-N-methylcarbamate
CID 69199156
tert-butyl N-cyclopent-3-en-1-yl-N-methylcarbamate
CID 172587185

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]carbamate (CID 166985995) is tert-butyl N-methyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]carbamate is Cc1nnc(C2CCC(N(C)C(=O)OC(C)(C)C)CC2)o1.
What is the InChIKey of tert-butyl N-methyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]carbamate?
The InChIKey is AVASMXQYOONBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-10-16-17-13(20-10)11-6-8-12(9-7-11)18(5)14(19)21-15(2,3)4/h11-12H,6-9H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]carbamate?
tert-butyl N-methyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]carbamate has a molecular weight of 295.38 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]carbamate is sourced from PubChem (CID 166985995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).