[(4S)-2-oxo-4-phenylmethoxy-1,3-oxazolidin-3-yl] (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxetane-2-carboxylate

C19H24N2O8 — CID 132584010

IUPAC[(4S)-2-oxo-4-phenylmethoxy-1,3-oxazolidin-3-yl] (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxetane-2-carboxylate
SMILESCC(C)(C)OC(=O)N[C@H]1CO[C@H]1C(=O)ON1C(=O)OC[C@@H]1OCc1ccccc1
InChIInChI=1S/C19H24N2O8/c1-19(2,3)28-17(23)20-13-10-26-15(13)16(22)29-21-14(11-27-18(21)24)25-9-12-7-5-4-6-8-12/h4-8,13-15H,9-11H2,1-3H3,(H,20,23)/t13-,14-,15+/m0/s1
InChIKeyIJRKQGVJHQJNHQ-SOUVJXGZSA-N
MW408.41 g/mol
LogP1.73
Rot. Bonds6

About [(4S)-2-oxo-4-phenylmethoxy-1,3-oxazolidin-3-yl] (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxetane-2-carboxylate

[(4S)-2-oxo-4-phenylmethoxy-1,3-oxazolidin-3-yl] (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxetane-2-carboxylate (PubChem CID 132584010) has the molecular formula C19H24N2O8 and a molecular weight of 408.41 g/mol. Its IUPAC name is [(4S)-2-oxo-4-phenylmethoxy-1,3-oxazolidin-3-yl] (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxetane-2-carboxylate.

Molecular Properties

Compound Name[(4S)-2-oxo-4-phenylmethoxy-1,3-oxazolidin-3-yl] (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxetane-2-carboxylate
PubChem CID132584010
Molecular FormulaC19H24N2O8
Molecular Weight408.41 g/mol
Exact Mass408.15
IUPAC Name[(4S)-2-oxo-4-phenylmethoxy-1,3-oxazolidin-3-yl] (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxetane-2-carboxylate
SMILESCC(C)(C)OC(=O)N[C@H]1CO[C@H]1C(=O)ON1C(=O)OC[C@@H]1OCc1ccccc1
InChIInChI=1S/C19H24N2O8/c1-19(2,3)28-17(23)20-13-10-26-15(13)16(22)29-21-14(11-27-18(21)24)25-9-12-7-5-4-6-8-12/h4-8,13-15H,9-11H2,1-3H3,(H,20,23)/t13-,14-,15+/m0/s1
InChIKeyIJRKQGVJHQJNHQ-SOUVJXGZSA-N
XLogP1.73
TPSA112.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(4S)-2-oxo-4-phenylmethoxy-1,3-oxazolidin-3-yl] (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxetane-2-carboxylate with MolForge

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Related Compounds

tert-butyl N-[(3R,3aS,4R,6aR)-4-phenylmethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl]carbamate
CID 122212288
tert-butyl N-[(1S,2S)-2-phenylmethoxycyclopentyl]carbamate
CID 58216148
benzyl N-[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-3-yl]carbamate
CID 134454025
benzyl N-[(3S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-3-yl]carbamate
CID 121422057
tert-butyl N-[(3S,4R,5R)-4-phenylmethoxy-5-[(E)-tetradec-1-enyl]oxolan-3-yl]carbamate
CID 54753589
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate;tert-butyl N-[(1S)-2-phenylmethoxycyclohexyl]carbamate
CID 158364614
tert-butyl (4R)-2-oxo-4-(phenylmethoxycarbonylamino)-1,3-oxazolidine-3-carboxylate
CID 10759288
benzyl (3R,4S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate
CID 59254368
benzyl N-[(4S,5R)-1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-4-yl]carbamate
CID 67505125
tert-butyl N-[(3R,4R)-1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 11784143
tert-butyl N-[(2R,3R)-2-(2-phenylmethoxyethyl)oxolan-3-yl]carbamate;ethane
CID 143391209
tert-butyl N-[(2R,3S,6R)-1-benzyl-2,6-dimethylpiperidin-3-yl]carbamate
CID 99723977

Frequently Asked Questions

What is the IUPAC name of [(4S)-2-oxo-4-phenylmethoxy-1,3-oxazolidin-3-yl] (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxetane-2-carboxylate?
The IUPAC name of [(4S)-2-oxo-4-phenylmethoxy-1,3-oxazolidin-3-yl] (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxetane-2-carboxylate (CID 132584010) is [(4S)-2-oxo-4-phenylmethoxy-1,3-oxazolidin-3-yl] (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxetane-2-carboxylate.
What is the SMILES notation for [(4S)-2-oxo-4-phenylmethoxy-1,3-oxazolidin-3-yl] (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxetane-2-carboxylate?
The canonical SMILES for [(4S)-2-oxo-4-phenylmethoxy-1,3-oxazolidin-3-yl] (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxetane-2-carboxylate is CC(C)(C)OC(=O)N[C@H]1CO[C@H]1C(=O)ON1C(=O)OC[C@@H]1OCc1ccccc1.
What is the InChIKey of [(4S)-2-oxo-4-phenylmethoxy-1,3-oxazolidin-3-yl] (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxetane-2-carboxylate?
The InChIKey is IJRKQGVJHQJNHQ-SOUVJXGZSA-N. The full InChI is InChI=1S/C19H24N2O8/c1-19(2,3)28-17(23)20-13-10-26-15(13)16(22)29-21-14(11-27-18(21)24)25-9-12-7-5-4-6-8-12/h4-8,13-15H,9-11H2,1-3H3,(H,20,23)/t13-,14-,15+/m0/s1.
What are the key properties of [(4S)-2-oxo-4-phenylmethoxy-1,3-oxazolidin-3-yl] (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxetane-2-carboxylate?
[(4S)-2-oxo-4-phenylmethoxy-1,3-oxazolidin-3-yl] (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxetane-2-carboxylate has a molecular weight of 408.41 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-2-oxo-4-phenylmethoxy-1,3-oxazolidin-3-yl] (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxetane-2-carboxylate is sourced from PubChem (CID 132584010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).