(4R)-3-[(1S,2S,6S,7R)-5-oxo-4-tricyclo[5.2.1.02,6]dec-3-enyl]-4-phenyl-1,3-oxazolidin-2-one

C19H19NO3 — CID 101266925

IUPAC(4R)-3-[(1S,2S,6S,7R)-5-oxo-4-tricyclo[5.2.1.02,6]dec-3-enyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1C(N2C(=O)OC[C@H]2c2ccccc2)=C[C@@H]2[C@H]3CC[C@H](C3)[C@H]12
InChIInChI=1S/C19H19NO3/c21-18-15(9-14-12-6-7-13(8-12)17(14)18)20-16(10-23-19(20)22)11-4-2-1-3-5-11/h1-5,9,12-14,16-17H,6-8,10H2/t12-,13+,14+,16-,17-/m0/s1
InChIKeyDIODZMZSYKCAJW-ZQQZQOJVSA-N
MW309.36 g/mol
LogP3.31
Rot. Bonds2

About (4R)-3-[(1S,2S,6S,7R)-5-oxo-4-tricyclo[5.2.1.02,6]dec-3-enyl]-4-phenyl-1,3-oxazolidin-2-one

(4R)-3-[(1S,2S,6S,7R)-5-oxo-4-tricyclo[5.2.1.02,6]dec-3-enyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 101266925) has the molecular formula C19H19NO3 and a molecular weight of 309.36 g/mol. Its IUPAC name is (4R)-3-[(1S,2S,6S,7R)-5-oxo-4-tricyclo[5.2.1.02,6]dec-3-enyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(1S,2S,6S,7R)-5-oxo-4-tricyclo[5.2.1.02,6]dec-3-enyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID101266925
Molecular FormulaC19H19NO3
Molecular Weight309.36 g/mol
Exact Mass309.14
IUPAC Name(4R)-3-[(1S,2S,6S,7R)-5-oxo-4-tricyclo[5.2.1.02,6]dec-3-enyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1C(N2C(=O)OC[C@H]2c2ccccc2)=C[C@@H]2[C@H]3CC[C@H](C3)[C@H]12
InChIInChI=1S/C19H19NO3/c21-18-15(9-14-12-6-7-13(8-12)17(14)18)20-16(10-23-19(20)22)11-4-2-1-3-5-11/h1-5,9,12-14,16-17H,6-8,10H2/t12-,13+,14+,16-,17-/m0/s1
InChIKeyDIODZMZSYKCAJW-ZQQZQOJVSA-N
XLogP3.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R)-3-[(1S,2S,6S,7R)-5-oxo-4-tricyclo[5.2.1.02,6]dec-3-enyl]-4-phenyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4S)-3-[(1R,2S,6R,7S)-5-oxo-4-trimethylsilyltricyclo[5.2.1.02,6]dec-3-ene-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one
CID 10716462
(4R)-3-(3-methyl-1H-inden-2-yl)-4-phenyl-1,3-oxazolidin-2-one
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(4S)-3-(3-methoxyphenyl)-4-phenyl-1,3-oxazolidin-2-one
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4-phenyl-3-prop-2-ynyl-1,3-oxazolidin-2-one
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(4S)-3-[2-(cycloheptylamino)pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 89490052
(4R)-4-phenyl-3-(1-phenyltriazol-4-yl)-1,3-oxazolidin-2-one
CID 11616487
(4S)-3-(7-methyl-3H-benzimidazol-5-yl)-4-phenyl-1,3-oxazolidin-2-one
CID 67036290
3-(3-bromo-1-benzothiophen-2-yl)-4-phenyl-1,3-oxazolidin-2-one
CID 102100688
(4R)-3-[[2-[[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]methyl]-4-phenyl-1,3-oxazolidin-2-one
CID 138601240
(2R)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenylacetic acid
CID 134870683
(4S)-3-(2-oxoethenyl)-4-phenyl-1,3-oxazolidin-2-one
CID 10420408
(4R)-3-[(1S,5S)-6-methyl-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 135066606

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(1S,2S,6S,7R)-5-oxo-4-tricyclo[5.2.1.02,6]dec-3-enyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(1S,2S,6S,7R)-5-oxo-4-tricyclo[5.2.1.02,6]dec-3-enyl]-4-phenyl-1,3-oxazolidin-2-one (CID 101266925) is (4R)-3-[(1S,2S,6S,7R)-5-oxo-4-tricyclo[5.2.1.02,6]dec-3-enyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(1S,2S,6S,7R)-5-oxo-4-tricyclo[5.2.1.02,6]dec-3-enyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(1S,2S,6S,7R)-5-oxo-4-tricyclo[5.2.1.02,6]dec-3-enyl]-4-phenyl-1,3-oxazolidin-2-one is O=C1C(N2C(=O)OC[C@H]2c2ccccc2)=C[C@@H]2[C@H]3CC[C@H](C3)[C@H]12.
What is the InChIKey of (4R)-3-[(1S,2S,6S,7R)-5-oxo-4-tricyclo[5.2.1.02,6]dec-3-enyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is DIODZMZSYKCAJW-ZQQZQOJVSA-N. The full InChI is InChI=1S/C19H19NO3/c21-18-15(9-14-12-6-7-13(8-12)17(14)18)20-16(10-23-19(20)22)11-4-2-1-3-5-11/h1-5,9,12-14,16-17H,6-8,10H2/t12-,13+,14+,16-,17-/m0/s1.
What are the key properties of (4R)-3-[(1S,2S,6S,7R)-5-oxo-4-tricyclo[5.2.1.02,6]dec-3-enyl]-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-[(1S,2S,6S,7R)-5-oxo-4-tricyclo[5.2.1.02,6]dec-3-enyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 309.36 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(1S,2S,6S,7R)-5-oxo-4-tricyclo[5.2.1.02,6]dec-3-enyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 101266925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).