tert-butyl N-[(1R)-2-hydroxy-1-[(5S)-3-phenylmethoxy-4,5-dihydro-1,2-oxazol-5-yl]ethyl]carbamate

C17H24N2O5 — CID 24828327

IUPACtert-butyl N-[(1R)-2-hydroxy-1-[(5S)-3-phenylmethoxy-4,5-dihydro-1,2-oxazol-5-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CO)[C@@H]1CC(OCc2ccccc2)=NO1
InChIInChI=1S/C17H24N2O5/c1-17(2,3)23-16(21)18-13(10-20)14-9-15(19-24-14)22-11-12-7-5-4-6-8-12/h4-8,13-14,20H,9-11H2,1-3H3,(H,18,21)/t13-,14+/m1/s1
InChIKeyFHCDEMWZVHSZKX-KGLIPLIRSA-N
MW336.39 g/mol
LogP2.19
Rot. Bonds5

About tert-butyl N-[(1R)-2-hydroxy-1-[(5S)-3-phenylmethoxy-4,5-dihydro-1,2-oxazol-5-yl]ethyl]carbamate

tert-butyl N-[(1R)-2-hydroxy-1-[(5S)-3-phenylmethoxy-4,5-dihydro-1,2-oxazol-5-yl]ethyl]carbamate (PubChem CID 24828327) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is tert-butyl N-[(1R)-2-hydroxy-1-[(5S)-3-phenylmethoxy-4,5-dihydro-1,2-oxazol-5-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-2-hydroxy-1-[(5S)-3-phenylmethoxy-4,5-dihydro-1,2-oxazol-5-yl]ethyl]carbamate
PubChem CID24828327
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Nametert-butyl N-[(1R)-2-hydroxy-1-[(5S)-3-phenylmethoxy-4,5-dihydro-1,2-oxazol-5-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CO)[C@@H]1CC(OCc2ccccc2)=NO1
InChIInChI=1S/C17H24N2O5/c1-17(2,3)23-16(21)18-13(10-20)14-9-15(19-24-14)22-11-12-7-5-4-6-8-12/h4-8,13-14,20H,9-11H2,1-3H3,(H,18,21)/t13-,14+/m1/s1
InChIKeyFHCDEMWZVHSZKX-KGLIPLIRSA-N
XLogP2.19
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(1R)-2-hydroxy-1-[(5S)-3-phenylmethoxy-4,5-dihydro-1,2-oxazol-5-yl]ethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethyl]carbamate;tert-butyl N-[(1R)-1-[(2S)-oxiran-2-yl]-2-phenylethyl]carbamate
CID 160649461
tert-butyl N-[1-[(2S)-oxiran-2-yl]-2-phenylethyl]carbamate
CID 53216973
tert-butyl N-[(2R)-3,4-dihydroxy-1-(4-phenylmethoxyphenyl)butan-2-yl]carbamate
CID 51357391
benzyl N-[(1S)-2-hydroxy-1-[(2R)-oxiran-2-yl]ethyl]carbamate
CID 140568444
tert-butyl N-[(1S)-1-[(2S)-oxiran-2-yl]-2-(4-phenylmethoxycyclohexa-2,4-dien-1-yl)ethyl]carbamate
CID 163876641
tert-butyl N-[(1S)-2-(3-fluoro-5-phenylmethoxyphenyl)-1-(oxiran-2-yl)ethyl]carbamate
CID 91566778
tert-butyl N-[(1S)-2-(3-fluoro-4-phenylmethoxyphenyl)-1-[(2S)-oxiran-2-yl]ethyl]carbamate
CID 58909332
tert-butyl N-[(1R)-1-(1,3-dioxolan-2-yl)-2-phenylethyl]carbamate
CID 170874039
tert-butyl N-(2-phenyl-1-trimethylsilylethyl)carbamate
CID 22399693
tert-butyl N-[(1S,2S)-2-(hydroxymethyl)-3-methyl-1-(2-phenylmethoxyphenyl)butyl]carbamate
CID 132595949
tert-butyl N-[(1R)-1-[(2S)-5-oxooxolan-2-yl]-2-phenylmethoxyethyl]carbamate
CID 10246340
methyl (2R,3S)-3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]oxirane-2-carboxylate
CID 11404452

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-2-hydroxy-1-[(5S)-3-phenylmethoxy-4,5-dihydro-1,2-oxazol-5-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-2-hydroxy-1-[(5S)-3-phenylmethoxy-4,5-dihydro-1,2-oxazol-5-yl]ethyl]carbamate (CID 24828327) is tert-butyl N-[(1R)-2-hydroxy-1-[(5S)-3-phenylmethoxy-4,5-dihydro-1,2-oxazol-5-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-2-hydroxy-1-[(5S)-3-phenylmethoxy-4,5-dihydro-1,2-oxazol-5-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-2-hydroxy-1-[(5S)-3-phenylmethoxy-4,5-dihydro-1,2-oxazol-5-yl]ethyl]carbamate is CC(C)(C)OC(=O)N[C@H](CO)[C@@H]1CC(OCc2ccccc2)=NO1.
What is the InChIKey of tert-butyl N-[(1R)-2-hydroxy-1-[(5S)-3-phenylmethoxy-4,5-dihydro-1,2-oxazol-5-yl]ethyl]carbamate?
The InChIKey is FHCDEMWZVHSZKX-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-17(2,3)23-16(21)18-13(10-20)14-9-15(19-24-14)22-11-12-7-5-4-6-8-12/h4-8,13-14,20H,9-11H2,1-3H3,(H,18,21)/t13-,14+/m1/s1.
What are the key properties of tert-butyl N-[(1R)-2-hydroxy-1-[(5S)-3-phenylmethoxy-4,5-dihydro-1,2-oxazol-5-yl]ethyl]carbamate?
tert-butyl N-[(1R)-2-hydroxy-1-[(5S)-3-phenylmethoxy-4,5-dihydro-1,2-oxazol-5-yl]ethyl]carbamate has a molecular weight of 336.39 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-2-hydroxy-1-[(5S)-3-phenylmethoxy-4,5-dihydro-1,2-oxazol-5-yl]ethyl]carbamate is sourced from PubChem (CID 24828327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).