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

C16H23N3O5 — CID 68823743

IUPACtert-butyl N-[(2S)-1-hydroxy-1-[5-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazol-2-yl]butan-2-yl]carbamate
SMILESCC[C@H](NC(=O)OC(C)(C)C)C(O)c1ncc(-c2cc(C)on2)o1
InChIInChI=1S/C16H23N3O5/c1-6-10(18-15(21)23-16(3,4)5)13(20)14-17-8-12(22-14)11-7-9(2)24-19-11/h7-8,10,13,20H,6H2,1-5H3,(H,18,21)/t10-,13?/m0/s1
InChIKeyPRHBMRAIEZYCLF-NKUHCKNESA-N
MW337.38 g/mol
LogP2.97
Rot. Bonds5

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

tert-butyl N-[(2S)-1-hydroxy-1-[5-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazol-2-yl]butan-2-yl]carbamate (PubChem CID 68823743) has the molecular formula C16H23N3O5 and a molecular weight of 337.38 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-hydroxy-1-[5-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazol-2-yl]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-hydroxy-1-[5-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazol-2-yl]butan-2-yl]carbamate
PubChem CID68823743
Molecular FormulaC16H23N3O5
Molecular Weight337.38 g/mol
Exact Mass337.16
IUPAC Nametert-butyl N-[(2S)-1-hydroxy-1-[5-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazol-2-yl]butan-2-yl]carbamate
SMILESCC[C@H](NC(=O)OC(C)(C)C)C(O)c1ncc(-c2cc(C)on2)o1
InChIInChI=1S/C16H23N3O5/c1-6-10(18-15(21)23-16(3,4)5)13(20)14-17-8-12(22-14)11-7-9(2)24-19-11/h7-8,10,13,20H,6H2,1-5H3,(H,18,21)/t10-,13?/m0/s1
InChIKeyPRHBMRAIEZYCLF-NKUHCKNESA-N
XLogP2.97
TPSA110.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl N-[1-hydroxy-1-(1,3-oxazol-2-yl)butan-2-yl]carbamate
CID 21025725
tert-butyl N-[(1S,2S)-1-(1,3-benzoxazol-2-yl)-1-hydroxybutan-2-yl]carbamate
CID 129383705
tert-butyl N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]carbamate
CID 69427301
tert-butyl N-[(2S)-3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopentan-2-yl]carbamate
CID 110677923
tert-butyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate
CID 103947091
tert-butyl N-[(1S,2S)-1-[5-[(tert-butylamino)methyl]-1,3-oxazol-2-yl]-2-methylbutyl]carbamate
CID 53467270
tert-butyl N-[1-(5-methyl-1,3-oxazol-2-yl)-2-phenylethyl]carbamate
CID 123235761
tert-butyl N-[1-hydroxy-1-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]carbamate
CID 23586840
tert-butyl N-[(2S)-4-methyl-1-(5-methyl-1,2-oxazol-3-yl)pentan-2-yl]carbamate
CID 170534884
(3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 125180154
tert-butyl N-[(2S)-3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]carbamate
CID 110677963
tert-butyl N-[(2S)-1-hydroxy-1-[5-[4-(trifluoromethoxy)cyclohexyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamate
CID 143041323

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-hydroxy-1-[5-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazol-2-yl]butan-2-yl]carbamate?
The IUPAC name of 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) is tert-butyl N-[(2S)-1-hydroxy-1-[5-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazol-2-yl]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-hydroxy-1-[5-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazol-2-yl]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-hydroxy-1-[5-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazol-2-yl]butan-2-yl]carbamate is CC[C@H](NC(=O)OC(C)(C)C)C(O)c1ncc(-c2cc(C)on2)o1.
What is the InChIKey of tert-butyl N-[(2S)-1-hydroxy-1-[5-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazol-2-yl]butan-2-yl]carbamate?
The InChIKey is PRHBMRAIEZYCLF-NKUHCKNESA-N. The full InChI is InChI=1S/C16H23N3O5/c1-6-10(18-15(21)23-16(3,4)5)13(20)14-17-8-12(22-14)11-7-9(2)24-19-11/h7-8,10,13,20H,6H2,1-5H3,(H,18,21)/t10-,13?/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-hydroxy-1-[5-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazol-2-yl]butan-2-yl]carbamate?
tert-butyl N-[(2S)-1-hydroxy-1-[5-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazol-2-yl]butan-2-yl]carbamate has a molecular weight of 337.38 g/mol, XLogP of 2.97, 5 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-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazol-2-yl]butan-2-yl]carbamate is sourced from PubChem (CID 68823743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).