3-[(2R,3S,4R)-4-hydroxy-2-phenyl-3,4-dihydro-2H-thiochromene-3-carbonyl]-1,3-oxazolidin-2-one

C19H17NO4S — CID 102511990

IUPAC3-[(2R,3S,4R)-4-hydroxy-2-phenyl-3,4-dihydro-2H-thiochromene-3-carbonyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(=O)[C@@H]1[C@@H](O)c2ccccc2S[C@H]1c1ccccc1
InChIInChI=1S/C19H17NO4S/c21-16-13-8-4-5-9-14(13)25-17(12-6-2-1-3-7-12)15(16)18(22)20-10-11-24-19(20)23/h1-9,15-17,21H,10-11H2/t15-,16+,17+/m1/s1
InChIKeySGRBXVQEPZVGPB-IKGGRYGDSA-N
MW355.42 g/mol
LogP3.16
Rot. Bonds2

About 3-[(2R,3S,4R)-4-hydroxy-2-phenyl-3,4-dihydro-2H-thiochromene-3-carbonyl]-1,3-oxazolidin-2-one

3-[(2R,3S,4R)-4-hydroxy-2-phenyl-3,4-dihydro-2H-thiochromene-3-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 102511990) has the molecular formula C19H17NO4S and a molecular weight of 355.42 g/mol. Its IUPAC name is 3-[(2R,3S,4R)-4-hydroxy-2-phenyl-3,4-dihydro-2H-thiochromene-3-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(2R,3S,4R)-4-hydroxy-2-phenyl-3,4-dihydro-2H-thiochromene-3-carbonyl]-1,3-oxazolidin-2-one
PubChem CID102511990
Molecular FormulaC19H17NO4S
Molecular Weight355.42 g/mol
Exact Mass355.09
IUPAC Name3-[(2R,3S,4R)-4-hydroxy-2-phenyl-3,4-dihydro-2H-thiochromene-3-carbonyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(=O)[C@@H]1[C@@H](O)c2ccccc2S[C@H]1c1ccccc1
InChIInChI=1S/C19H17NO4S/c21-16-13-8-4-5-9-14(13)25-17(12-6-2-1-3-7-12)15(16)18(22)20-10-11-24-19(20)23/h1-9,15-17,21H,10-11H2/t15-,16+,17+/m1/s1
InChIKeySGRBXVQEPZVGPB-IKGGRYGDSA-N
XLogP3.16
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2R,3S,4R)-4-hydroxy-2-thiophen-3-yl-3,4-dihydro-2H-thiochromene-3-carbonyl]-1,3-oxazolidin-2-one
CID 16043688
3-[(2R,3S,4R)-4-hydroxy-5,7-dimethyl-2-phenyl-3,4-dihydro-2H-thiochromene-3-carbonyl]-1,3-oxazolidin-2-one
CID 16043690
(2S,3S)-3-hydroxy-3-phenyl-2-(phenylsulfanylmethyl)-N,N-di(propan-2-yl)propanamide
CID 101089528
3-[(2R,3S,4R)-4-hydroxy-6-methyl-2-phenyl-3,4-dihydro-2H-thiochromene-3-carbonyl]-1,3-oxazolidin-2-one
CID 102511995
3-[(2R,3S,4R)-6-chloro-4-hydroxy-2-phenyl-3,4-dihydro-2H-thiochromene-3-carbonyl]-1,3-oxazolidin-2-one
CID 102511996
3-[(1R,2S,3R)-1-hydroxy-3-phenyl-2,3,7,8,9,10-hexahydro-1H-benzo[f]thiochromene-2-carbonyl]-1,3-oxazolidin-2-one
CID 102511998
3-[(2R,3S,4R)-2-(2-chlorophenyl)-4-hydroxy-3,4-dihydro-2H-thiochromene-3-carbonyl]-1,3-oxazolidin-2-one
CID 102512000
3-[(2R,3S,4R)-4-hydroxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromene-3-carbonyl]-1,3-oxazolidin-2-one
CID 102512001
(3aS,9R,9aS)-2-benzyl-9-hydroxy-9,9a-dihydro-3aH-thiochromeno[2,3-c]pyrrole-1,3-dione
CID 139260065
(+)-4-Benzyl-3-[3-hydroxy-7-phenyl-2-(2-phenylsulfanylethyl)heptanoyl]-oxazolidin-2-one
CID 18790118
(2R,3R)-3-hydroxy-3-phenyl-2-(phenylsulfanylmethyl)-N,N-di(propan-2-yl)propanamide
CID 10666942
(4R,5S)-3-[(2R,3S)-3-hydroxy-2-phenylsulfanylhexanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11133113

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,3S,4R)-4-hydroxy-2-phenyl-3,4-dihydro-2H-thiochromene-3-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(2R,3S,4R)-4-hydroxy-2-phenyl-3,4-dihydro-2H-thiochromene-3-carbonyl]-1,3-oxazolidin-2-one (CID 102511990) is 3-[(2R,3S,4R)-4-hydroxy-2-phenyl-3,4-dihydro-2H-thiochromene-3-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(2R,3S,4R)-4-hydroxy-2-phenyl-3,4-dihydro-2H-thiochromene-3-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(2R,3S,4R)-4-hydroxy-2-phenyl-3,4-dihydro-2H-thiochromene-3-carbonyl]-1,3-oxazolidin-2-one is O=C1OCCN1C(=O)[C@@H]1[C@@H](O)c2ccccc2S[C@H]1c1ccccc1.
What is the InChIKey of 3-[(2R,3S,4R)-4-hydroxy-2-phenyl-3,4-dihydro-2H-thiochromene-3-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is SGRBXVQEPZVGPB-IKGGRYGDSA-N. The full InChI is InChI=1S/C19H17NO4S/c21-16-13-8-4-5-9-14(13)25-17(12-6-2-1-3-7-12)15(16)18(22)20-10-11-24-19(20)23/h1-9,15-17,21H,10-11H2/t15-,16+,17+/m1/s1.
What are the key properties of 3-[(2R,3S,4R)-4-hydroxy-2-phenyl-3,4-dihydro-2H-thiochromene-3-carbonyl]-1,3-oxazolidin-2-one?
3-[(2R,3S,4R)-4-hydroxy-2-phenyl-3,4-dihydro-2H-thiochromene-3-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 355.42 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,3S,4R)-4-hydroxy-2-phenyl-3,4-dihydro-2H-thiochromene-3-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 102511990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).