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

C19H35N3O4 — CID 53467495

IUPACtert-butyl N-[(1S,2S)-1-[5-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-1,3-oxazol-2-yl]-2-methylbutyl]carbamate
SMILESCC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1ncc(CN[C@H](CO)C(C)C)o1
InChIInChI=1S/C19H35N3O4/c1-8-13(4)16(22-18(24)26-19(5,6)7)17-21-10-14(25-17)9-20-15(11-23)12(2)3/h10,12-13,15-16,20,23H,8-9,11H2,1-7H3,(H,22,24)/t13-,15+,16-/m0/s1
InChIKeyFYHFJTJNOCTOCL-IMJJTQAJSA-N
MW369.51 g/mol
LogP3.39
Rot. Bonds9

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

tert-butyl N-[(1S,2S)-1-[5-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-1,3-oxazol-2-yl]-2-methylbutyl]carbamate (PubChem CID 53467495) has the molecular formula C19H35N3O4 and a molecular weight of 369.51 g/mol. Its IUPAC name is tert-butyl N-[(1S,2S)-1-[5-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-1,3-oxazol-2-yl]-2-methylbutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2S)-1-[5-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-1,3-oxazol-2-yl]-2-methylbutyl]carbamate
PubChem CID53467495
Molecular FormulaC19H35N3O4
Molecular Weight369.51 g/mol
Exact Mass369.26
IUPAC Nametert-butyl N-[(1S,2S)-1-[5-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-1,3-oxazol-2-yl]-2-methylbutyl]carbamate
SMILESCC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1ncc(CN[C@H](CO)C(C)C)o1
InChIInChI=1S/C19H35N3O4/c1-8-13(4)16(22-18(24)26-19(5,6)7)17-21-10-14(25-17)9-20-15(11-23)12(2)3/h10,12-13,15-16,20,23H,8-9,11H2,1-7H3,(H,22,24)/t13-,15+,16-/m0/s1
InChIKeyFYHFJTJNOCTOCL-IMJJTQAJSA-N
XLogP3.39
TPSA96.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

tert-butyl N-[(1S,2S)-1-[5-[(tert-butylamino)methyl]-1,3-oxazol-2-yl]-2-methylbutyl]carbamate
CID 53467270
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
tert-butyl N-[(1S)-1-(5-formyl-1,3-oxazol-2-yl)-2-methylpropyl]carbamate
CID 24906039
tert-butyl (2S)-2-[5-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-1,3-oxazol-2-yl]pyrrolidine-1-carboxylate
CID 53468154
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-[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-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate
CID 103947091
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,2S)-1-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-2-methylbutyl]carbamate
CID 92506775
tert-butyl N-[(2R,3S)-1,3-dihydroxy-4-methylpentan-2-yl]carbamate
CID 14310881

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2S)-1-[5-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-1,3-oxazol-2-yl]-2-methylbutyl]carbamate?
The IUPAC name of 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) is tert-butyl N-[(1S,2S)-1-[5-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-1,3-oxazol-2-yl]-2-methylbutyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2S)-1-[5-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-1,3-oxazol-2-yl]-2-methylbutyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2S)-1-[5-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-1,3-oxazol-2-yl]-2-methylbutyl]carbamate is CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1ncc(CN[C@H](CO)C(C)C)o1.
What is the InChIKey of tert-butyl N-[(1S,2S)-1-[5-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-1,3-oxazol-2-yl]-2-methylbutyl]carbamate?
The InChIKey is FYHFJTJNOCTOCL-IMJJTQAJSA-N. The full InChI is InChI=1S/C19H35N3O4/c1-8-13(4)16(22-18(24)26-19(5,6)7)17-21-10-14(25-17)9-20-15(11-23)12(2)3/h10,12-13,15-16,20,23H,8-9,11H2,1-7H3,(H,22,24)/t13-,15+,16-/m0/s1.
What are the key properties of tert-butyl N-[(1S,2S)-1-[5-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-1,3-oxazol-2-yl]-2-methylbutyl]carbamate?
tert-butyl N-[(1S,2S)-1-[5-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-1,3-oxazol-2-yl]-2-methylbutyl]carbamate has a molecular weight of 369.51 g/mol, XLogP of 3.39, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2S)-1-[5-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-1,3-oxazol-2-yl]-2-methylbutyl]carbamate is sourced from PubChem (CID 53467495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).