tert-butyl N-[(1S,2S)-1-[5-[(tert-butylamino)methyl]-1,3-oxazol-2-yl]-2-methylbutyl]carbamate

C18H33N3O3 — CID 53467270

IUPACtert-butyl N-[(1S,2S)-1-[5-[(tert-butylamino)methyl]-1,3-oxazol-2-yl]-2-methylbutyl]carbamate
SMILESCC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1ncc(CNC(C)(C)C)o1
InChIInChI=1S/C18H33N3O3/c1-9-12(2)14(21-16(22)24-18(6,7)8)15-19-10-13(23-15)11-20-17(3,4)5/h10,12,14,20H,9,11H2,1-8H3,(H,21,22)/t12-,14-/m0/s1
InChIKeyGZNBJTMMIHCUGJ-JSGCOSHPSA-N
MW339.48 g/mol
LogP4.17
Rot. Bonds6

About tert-butyl N-[(1S,2S)-1-[5-[(tert-butylamino)methyl]-1,3-oxazol-2-yl]-2-methylbutyl]carbamate

tert-butyl N-[(1S,2S)-1-[5-[(tert-butylamino)methyl]-1,3-oxazol-2-yl]-2-methylbutyl]carbamate (PubChem CID 53467270) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is tert-butyl N-[(1S,2S)-1-[5-[(tert-butylamino)methyl]-1,3-oxazol-2-yl]-2-methylbutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2S)-1-[5-[(tert-butylamino)methyl]-1,3-oxazol-2-yl]-2-methylbutyl]carbamate
PubChem CID53467270
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Nametert-butyl N-[(1S,2S)-1-[5-[(tert-butylamino)methyl]-1,3-oxazol-2-yl]-2-methylbutyl]carbamate
SMILESCC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1ncc(CNC(C)(C)C)o1
InChIInChI=1S/C18H33N3O3/c1-9-12(2)14(21-16(22)24-18(6,7)8)15-19-10-13(23-15)11-20-17(3,4)5/h10,12,14,20H,9,11H2,1-8H3,(H,21,22)/t12-,14-/m0/s1
InChIKeyGZNBJTMMIHCUGJ-JSGCOSHPSA-N
XLogP4.17
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(1S,2S)-1-[5-[(tert-butylamino)methyl]-1,3-oxazol-2-yl]-2-methylbutyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(1S,2S)-1-[5-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-1,3-oxazol-2-yl]-2-methylbutyl]carbamate
CID 53467495
tert-butyl N-[(1S,2S)-2-methyl-1-[5-[(4-phenyltriazol-1-yl)methyl]-1,3-oxazol-2-yl]butyl]carbamate
CID 53468752
tert-butyl N-[(1S)-2-methyl-1-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)butyl]carbamate
CID 2771978
methyl 5-methyl-2-[(1S,2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,3-oxazole-4-carboxylate
CID 15867252
tert-butyl N-[(1S)-1-(5-formyl-1,3-oxazol-2-yl)-2-methylpropyl]carbamate
CID 24906039
tert-butyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate
CID 103947091
tert-butyl N-[1-hydroxy-1-(1,3-oxazol-2-yl)butan-2-yl]carbamate
CID 21025725
methyl 2-[[5-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 22694244
tert-butyl N-[(1S,2S)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-methylbutyl]carbamate
CID 9125174
tert-butyl N-[(1R,2R)-1-[5-[(4-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylbutyl]carbamate
CID 51554565
tert-butyl N-[1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-methylbutyl]carbamate
CID 3762551
tert-butyl N-[(1R,2R)-1-[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-2-methylbutyl]carbamate
CID 92507849

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2S)-1-[5-[(tert-butylamino)methyl]-1,3-oxazol-2-yl]-2-methylbutyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2S)-1-[5-[(tert-butylamino)methyl]-1,3-oxazol-2-yl]-2-methylbutyl]carbamate (CID 53467270) is tert-butyl N-[(1S,2S)-1-[5-[(tert-butylamino)methyl]-1,3-oxazol-2-yl]-2-methylbutyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2S)-1-[5-[(tert-butylamino)methyl]-1,3-oxazol-2-yl]-2-methylbutyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2S)-1-[5-[(tert-butylamino)methyl]-1,3-oxazol-2-yl]-2-methylbutyl]carbamate is CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1ncc(CNC(C)(C)C)o1.
What is the InChIKey of tert-butyl N-[(1S,2S)-1-[5-[(tert-butylamino)methyl]-1,3-oxazol-2-yl]-2-methylbutyl]carbamate?
The InChIKey is GZNBJTMMIHCUGJ-JSGCOSHPSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-9-12(2)14(21-16(22)24-18(6,7)8)15-19-10-13(23-15)11-20-17(3,4)5/h10,12,14,20H,9,11H2,1-8H3,(H,21,22)/t12-,14-/m0/s1.
What are the key properties of tert-butyl N-[(1S,2S)-1-[5-[(tert-butylamino)methyl]-1,3-oxazol-2-yl]-2-methylbutyl]carbamate?
tert-butyl N-[(1S,2S)-1-[5-[(tert-butylamino)methyl]-1,3-oxazol-2-yl]-2-methylbutyl]carbamate has a molecular weight of 339.48 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2S)-1-[5-[(tert-butylamino)methyl]-1,3-oxazol-2-yl]-2-methylbutyl]carbamate is sourced from PubChem (CID 53467270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).