(4R)-4-ethyl-3-[(2R,4R)-4-[(2-methylpropan-2-yl)oxy]-6-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-2-yl]-1,3-oxazolidin-2-one

C22H31NO5 — CID 11474742

IUPAC(4R)-4-ethyl-3-[(2R,4R)-4-[(2-methylpropan-2-yl)oxy]-6-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-2-yl]-1,3-oxazolidin-2-one
SMILESCC[C@@H]1COC(=O)N1[C@H]1C[C@@H](OC(C)(C)C)C=C(COCc2ccccc2)O1
InChIInChI=1S/C22H31NO5/c1-5-17-14-26-21(24)23(17)20-12-18(28-22(2,3)4)11-19(27-20)15-25-13-16-9-7-6-8-10-16/h6-11,17-18,20H,5,12-15H2,1-4H3/t17-,18+,20-/m1/s1
InChIKeyFAANUGHIARPRQD-WSTZPKSXSA-N
MW389.49 g/mol
LogP4.25
Rot. Bonds7

About (4R)-4-ethyl-3-[(2R,4R)-4-[(2-methylpropan-2-yl)oxy]-6-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-2-yl]-1,3-oxazolidin-2-one

(4R)-4-ethyl-3-[(2R,4R)-4-[(2-methylpropan-2-yl)oxy]-6-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-2-yl]-1,3-oxazolidin-2-one (PubChem CID 11474742) has the molecular formula C22H31NO5 and a molecular weight of 389.49 g/mol. Its IUPAC name is (4R)-4-ethyl-3-[(2R,4R)-4-[(2-methylpropan-2-yl)oxy]-6-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-ethyl-3-[(2R,4R)-4-[(2-methylpropan-2-yl)oxy]-6-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-2-yl]-1,3-oxazolidin-2-one
PubChem CID11474742
Molecular FormulaC22H31NO5
Molecular Weight389.49 g/mol
Exact Mass389.22
IUPAC Name(4R)-4-ethyl-3-[(2R,4R)-4-[(2-methylpropan-2-yl)oxy]-6-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-2-yl]-1,3-oxazolidin-2-one
SMILESCC[C@@H]1COC(=O)N1[C@H]1C[C@@H](OC(C)(C)C)C=C(COCc2ccccc2)O1
InChIInChI=1S/C22H31NO5/c1-5-17-14-26-21(24)23(17)20-12-18(28-22(2,3)4)11-19(27-20)15-25-13-16-9-7-6-8-10-16/h6-11,17-18,20H,5,12-15H2,1-4H3/t17-,18+,20-/m1/s1
InChIKeyFAANUGHIARPRQD-WSTZPKSXSA-N
XLogP4.25
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.49
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4R)-4-ethyl-3-[(2R,4R)-4-[(2-methylpropan-2-yl)oxy]-6-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-2-yl]-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

methyl (2S,4S)-4-[(2-methylpropan-2-yl)oxy]-2-[(4S)-4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]-3,4-dihydro-2H-pyran-6-carboxylate
CID 11233569
(5R,6S,7aS)-6-hydroxy-5-(phenylmethoxymethyl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
CID 11958153
(2R,3S,5S,6S,7R)-2-ethyl-6-phenylmethoxy-4,9-dioxa-1-azatricyclo[5.3.0.03,5]decan-10-one
CID 23730409
(4R)-3-[(2S,4S)-5-oxo-4-phenylmethoxyoxolan-2-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 11462329
(4R)-4-benzyl-3-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxyethenyl]-1,3-oxazolidin-2-one
CID 102297158
methyl (2R,3S,4S)-2-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-3,4-diphenyl-3,4-dihydro-2H-pyran-6-carboxylate
CID 102157062
(4S)-4-benzyl-3-tert-butylsulfanyl-1,3-oxazolidin-2-one
CID 15668312
(5R,7S,7aR)-5-benzyl-7-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
CID 10561501
(3S,5S)-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one
CID 10680435
ethyl 6-oxo-2-(phenylmethoxymethyl)-5H-1,4-oxazepine-4-carboxylate
CID 175215249
3-ethyl-6-(phenylmethoxymethyl)-1,4-dioxane-2,5-dione
CID 71242586
(4R)-3-[(2R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 11303051

Frequently Asked Questions

What is the IUPAC name of (4R)-4-ethyl-3-[(2R,4R)-4-[(2-methylpropan-2-yl)oxy]-6-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-ethyl-3-[(2R,4R)-4-[(2-methylpropan-2-yl)oxy]-6-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-2-yl]-1,3-oxazolidin-2-one (CID 11474742) is (4R)-4-ethyl-3-[(2R,4R)-4-[(2-methylpropan-2-yl)oxy]-6-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-ethyl-3-[(2R,4R)-4-[(2-methylpropan-2-yl)oxy]-6-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-ethyl-3-[(2R,4R)-4-[(2-methylpropan-2-yl)oxy]-6-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-2-yl]-1,3-oxazolidin-2-one is CC[C@@H]1COC(=O)N1[C@H]1C[C@@H](OC(C)(C)C)C=C(COCc2ccccc2)O1.
What is the InChIKey of (4R)-4-ethyl-3-[(2R,4R)-4-[(2-methylpropan-2-yl)oxy]-6-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is FAANUGHIARPRQD-WSTZPKSXSA-N. The full InChI is InChI=1S/C22H31NO5/c1-5-17-14-26-21(24)23(17)20-12-18(28-22(2,3)4)11-19(27-20)15-25-13-16-9-7-6-8-10-16/h6-11,17-18,20H,5,12-15H2,1-4H3/t17-,18+,20-/m1/s1.
What are the key properties of (4R)-4-ethyl-3-[(2R,4R)-4-[(2-methylpropan-2-yl)oxy]-6-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-2-yl]-1,3-oxazolidin-2-one?
(4R)-4-ethyl-3-[(2R,4R)-4-[(2-methylpropan-2-yl)oxy]-6-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 389.49 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-ethyl-3-[(2R,4R)-4-[(2-methylpropan-2-yl)oxy]-6-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11474742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).