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

C20H19NO4 — CID 134833138

IUPAC3-[(1R,2S,3R)-1-hydroxy-3-phenyl-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(=O)[C@@H]1[C@@H](O)c2ccccc2C[C@H]1c1ccccc1
InChIInChI=1S/C20H19NO4/c22-18-15-9-5-4-8-14(15)12-16(13-6-2-1-3-7-13)17(18)19(23)21-10-11-25-20(21)24/h1-9,16-18,22H,10-12H2/t16-,17-,18-/m0/s1
InChIKeyDZDGATVUKBLQNN-BZSNNMDCSA-N
MW337.38 g/mol
LogP2.65
Rot. Bonds2

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

3-[(1R,2S,3R)-1-hydroxy-3-phenyl-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 134833138) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-[(1R,2S,3R)-1-hydroxy-3-phenyl-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(1R,2S,3R)-1-hydroxy-3-phenyl-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazolidin-2-one
PubChem CID134833138
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name3-[(1R,2S,3R)-1-hydroxy-3-phenyl-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(=O)[C@@H]1[C@@H](O)c2ccccc2C[C@H]1c1ccccc1
InChIInChI=1S/C20H19NO4/c22-18-15-9-5-4-8-14(15)12-16(13-6-2-1-3-7-13)17(18)19(23)21-10-11-25-20(21)24/h1-9,16-18,22H,10-12H2/t16-,17-,18-/m0/s1
InChIKeyDZDGATVUKBLQNN-BZSNNMDCSA-N
XLogP2.65
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[6-[4-(Hydroxymethyl)phenyl]hexanoyl]-1,3-oxazolidin-2-one
CID 145974648
benzene;(4S)-4-benzyl-3-[(2R)-3,3,3-trifluoro-2-[(R)-hydroxy(phenyl)methyl]propanoyl]-1,3-oxazolidin-2-one
CID 139039336
(4R)-4-benzyl-3-[(2S,3R)-3-(4-fluorophenyl)-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 176430323
(4S)-3-[(3R)-3-hydroxy-3-phenylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10731230
(4S)-4-benzyl-3-[(3S)-3-hydroxy-3-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 15349603
(4S)-4-benzyl-3-[(2R)-3,3,3-trifluoro-2-[(R)-hydroxy(phenyl)methyl]propanoyl]-1,3-oxazolidin-2-one
CID 101266828
(4R)-4-benzyl-3-[(2R,3R)-3-(3,4-difluorophenyl)-2-(4-fluorophenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one
CID 58697526
(4S)-4-benzyl-3-[(2R,3S)-2-benzyl-3-hydroxy-3-[2-iodo-5-(trifluoromethyl)phenyl]propanoyl]-1,3-oxazolidin-2-one
CID 66716955
Ethane;3-[3-hydroxy-3-[2-methyl-5-(trifluoromethyl)phenyl]propanoyl]-1,3-oxazolidin-2-one;toluene
CID 143177144
(4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 10497286
(4S)-3-[(2S,3S)-3-hydroxy-2-methyl-3-phenylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10589654
(4S)-3-[(2S)-2-[(S)-hydroxy(phenyl)methyl]-3-methylbut-3-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10710600

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2S,3R)-1-hydroxy-3-phenyl-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(1R,2S,3R)-1-hydroxy-3-phenyl-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazolidin-2-one (CID 134833138) is 3-[(1R,2S,3R)-1-hydroxy-3-phenyl-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(1R,2S,3R)-1-hydroxy-3-phenyl-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(1R,2S,3R)-1-hydroxy-3-phenyl-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazolidin-2-one is O=C1OCCN1C(=O)[C@@H]1[C@@H](O)c2ccccc2C[C@H]1c1ccccc1.
What is the InChIKey of 3-[(1R,2S,3R)-1-hydroxy-3-phenyl-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is DZDGATVUKBLQNN-BZSNNMDCSA-N. The full InChI is InChI=1S/C20H19NO4/c22-18-15-9-5-4-8-14(15)12-16(13-6-2-1-3-7-13)17(18)19(23)21-10-11-25-20(21)24/h1-9,16-18,22H,10-12H2/t16-,17-,18-/m0/s1.
What are the key properties of 3-[(1R,2S,3R)-1-hydroxy-3-phenyl-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazolidin-2-one?
3-[(1R,2S,3R)-1-hydroxy-3-phenyl-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 337.38 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2S,3R)-1-hydroxy-3-phenyl-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134833138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).