tert-butyl N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]carbamate

C13H23N3O4 — CID 69427301

IUPACtert-butyl N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]carbamate
SMILESCCc1noc([C@@H](O)C(CC)NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C13H23N3O4/c1-6-8(14-12(18)19-13(3,4)5)10(17)11-15-9(7-2)16-20-11/h8,10,17H,6-7H2,1-5H3,(H,14,18)/t8?,10-/m0/s1
InChIKeyCTXWDQNEDTXACO-HTLJXXAVSA-N
MW285.34 g/mol
LogP1.97
Rot. Bonds5

About tert-butyl N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]carbamate

tert-butyl N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]carbamate (PubChem CID 69427301) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]carbamate
PubChem CID69427301
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Nametert-butyl N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]carbamate
SMILESCCc1noc([C@@H](O)C(CC)NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C13H23N3O4/c1-6-8(14-12(18)19-13(3,4)5)10(17)11-15-9(7-2)16-20-11/h8,10,17H,6-7H2,1-5H3,(H,14,18)/t8?,10-/m0/s1
InChIKeyCTXWDQNEDTXACO-HTLJXXAVSA-N
XLogP1.97
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]carbamate with MolForge

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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-[(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-hydroxy-1-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]carbamate
CID 23586840
(3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 125180154
tert-butyl N-(1-amino-2-hydroxy-1-oxopentan-3-yl)carbamate
CID 143352872
tert-butyl N-[(2S)-1-hydroxy-1-[5-[4-(trifluoromethoxy)cyclohexyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamate
CID 143041323
tert-butyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate
CID 56770615
methyl 3-(3-ethyl-1,2,4-oxadiazol-5-yl)butanoate
CID 162468885
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 87856844
tert-butyl N-[1-[5-[1-(dimethylamino)propyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]carbamate
CID 86806594
tert-butyl N-[(2S)-4-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)pentan-2-yl]carbamate
CID 167047360

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]carbamate (CID 69427301) is tert-butyl N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]carbamate is CCc1noc([C@@H](O)C(CC)NC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]carbamate?
The InChIKey is CTXWDQNEDTXACO-HTLJXXAVSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-6-8(14-12(18)19-13(3,4)5)10(17)11-15-9(7-2)16-20-11/h8,10,17H,6-7H2,1-5H3,(H,14,18)/t8?,10-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]carbamate?
tert-butyl N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]carbamate has a molecular weight of 285.34 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]carbamate is sourced from PubChem (CID 69427301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).