(4S)-3-[(2R,3S,4S)-5-oxo-2-phenyl-4-propan-2-yloxolane-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C20H25NO5 — CID 102465070

IUPAC(4S)-3-[(2R,3S,4S)-5-oxo-2-phenyl-4-propan-2-yloxolane-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)[C@@H]1[C@H](c2ccccc2)OC(=O)[C@H]1C(C)C
InChIInChI=1S/C20H25NO5/c1-11(2)14-10-25-20(24)21(14)18(22)16-15(12(3)4)19(23)26-17(16)13-8-6-5-7-9-13/h5-9,11-12,14-17H,10H2,1-4H3/t14-,15+,16+,17+/m1/s1
InChIKeyHBCGTMWGTKFTNS-QZWWFDLISA-N
MW359.42 g/mol
LogP3.18
Rot. Bonds4

About (4S)-3-[(2R,3S,4S)-5-oxo-2-phenyl-4-propan-2-yloxolane-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(2R,3S,4S)-5-oxo-2-phenyl-4-propan-2-yloxolane-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 102465070) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is (4S)-3-[(2R,3S,4S)-5-oxo-2-phenyl-4-propan-2-yloxolane-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2R,3S,4S)-5-oxo-2-phenyl-4-propan-2-yloxolane-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID102465070
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC Name(4S)-3-[(2R,3S,4S)-5-oxo-2-phenyl-4-propan-2-yloxolane-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)[C@@H]1[C@H](c2ccccc2)OC(=O)[C@H]1C(C)C
InChIInChI=1S/C20H25NO5/c1-11(2)14-10-25-20(24)21(14)18(22)16-15(12(3)4)19(23)26-17(16)13-8-6-5-7-9-13/h5-9,11-12,14-17H,10H2,1-4H3/t14-,15+,16+,17+/m1/s1
InChIKeyHBCGTMWGTKFTNS-QZWWFDLISA-N
XLogP3.18
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4S)-3-[(2R,3S,4S)-5-oxo-2-phenyl-4-propan-2-yloxolane-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-2-phenylethane-1,2-dione
CID 11832186
(3R)-2,3-dibenzyl-1,4-bis[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butane-1,4-dione
CID 134462003
(4S)-3-(2-methyl-3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 134835001
3-(2-phenylselanylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 22298317
(4R)-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11010755
3-(3-methylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 67991997
(4R)-3-[(3S,4S)-1-benzyl-4-methylpyrrolidine-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 22871830
3-(1-benzyl-4-methylpyrrolidine-3-carbonyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 22912432
(4S)-3-(2-fluoropropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 77106963
ethyl (2S,3S,4S,5R)-3-methyl-2-(naphthalen-1-ylmethyl)-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-5-phenyloxolane-2-carboxylate
CID 71734740
ethyl 2-benzyl-5-(4-chlorophenyl)-3-methyl-4-(2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl)oxolane-2-carboxylate
CID 78163822
(4S)-3-[2-(2-chlorophenyl)acetyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15349555

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2R,3S,4S)-5-oxo-2-phenyl-4-propan-2-yloxolane-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(2R,3S,4S)-5-oxo-2-phenyl-4-propan-2-yloxolane-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 102465070) is (4S)-3-[(2R,3S,4S)-5-oxo-2-phenyl-4-propan-2-yloxolane-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(2R,3S,4S)-5-oxo-2-phenyl-4-propan-2-yloxolane-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(2R,3S,4S)-5-oxo-2-phenyl-4-propan-2-yloxolane-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1C(=O)[C@@H]1[C@H](c2ccccc2)OC(=O)[C@H]1C(C)C.
What is the InChIKey of (4S)-3-[(2R,3S,4S)-5-oxo-2-phenyl-4-propan-2-yloxolane-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is HBCGTMWGTKFTNS-QZWWFDLISA-N. The full InChI is InChI=1S/C20H25NO5/c1-11(2)14-10-25-20(24)21(14)18(22)16-15(12(3)4)19(23)26-17(16)13-8-6-5-7-9-13/h5-9,11-12,14-17H,10H2,1-4H3/t14-,15+,16+,17+/m1/s1.
What are the key properties of (4S)-3-[(2R,3S,4S)-5-oxo-2-phenyl-4-propan-2-yloxolane-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(2R,3S,4S)-5-oxo-2-phenyl-4-propan-2-yloxolane-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 359.42 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2R,3S,4S)-5-oxo-2-phenyl-4-propan-2-yloxolane-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 102465070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).