(4S,5R)-5-[(E)-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C14H17NO2 — CID 102013687

IUPAC(4S,5R)-5-[(E)-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1NC(=O)O[C@@H]1/C=C/c1ccccc1
InChIInChI=1S/C14H17NO2/c1-10(2)13-12(17-14(16)15-13)9-8-11-6-4-3-5-7-11/h3-10,12-13H,1-2H3,(H,15,16)/b9-8+/t12-,13+/m1/s1
InChIKeyAVIKRCATSLYIRJ-VSONXHSHSA-N
MW231.30 g/mol
LogP2.83
Rot. Bonds3

About (4S,5R)-5-[(E)-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S,5R)-5-[(E)-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 102013687) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is (4S,5R)-5-[(E)-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-5-[(E)-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID102013687
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name(4S,5R)-5-[(E)-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1NC(=O)O[C@@H]1/C=C/c1ccccc1
InChIInChI=1S/C14H17NO2/c1-10(2)13-12(17-14(16)15-13)9-8-11-6-4-3-5-7-11/h3-10,12-13H,1-2H3,(H,15,16)/b9-8+/t12-,13+/m1/s1
InChIKeyAVIKRCATSLYIRJ-VSONXHSHSA-N
XLogP2.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,5R)-5-[(E)-2-phenylethenyl]-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 67112111
4-[(E)-2-phenylethenyl]-3-propan-2-ylazetidin-2-one
CID 70066029
(4R)-4-(2-phenylethenyl)-1,3-oxazolidin-2-one
CID 69253686
(4R,5S)-4,5-di(propan-2-yl)-1,3-oxazolidin-2-one
CID 59706737
(2S,5S)-3-methyl-2-[(E)-2-phenylethenyl]-5-propan-2-ylimidazolidin-4-one
CID 101494144
(3R,4S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one
CID 10806744
(3aS,4R,6aS)-4-[(E)-2-phenylethenyl]-3,3a,4,6a-tetrahydrofuro[2,3-c]furan-2,6-dione
CID 102049388
(4R,5S,6R)-2,2,4,5-tetramethyl-6-[(E)-2-phenylethenyl]-1,3-dioxane
CID 11673198
3-[(Z)-2-phenylethenyl]-3H-1-benzofuran-2-one
CID 164896790
2-[(4R,5S)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]propanoate
CID 57373164
(2R,3R,4S,5S,6S)-2,3,5-trimethyl-6-[(E)-2-phenylethenyl]oxan-4-ol
CID 130359473
4-(2-methylpropyl)-5-phenyl-1,3-oxazolidin-2-one
CID 14553806

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-[(E)-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-5-[(E)-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 102013687) is (4S,5R)-5-[(E)-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-5-[(E)-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-5-[(E)-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@@H]1NC(=O)O[C@@H]1/C=C/c1ccccc1.
What is the InChIKey of (4S,5R)-5-[(E)-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is AVIKRCATSLYIRJ-VSONXHSHSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10(2)13-12(17-14(16)15-13)9-8-11-6-4-3-5-7-11/h3-10,12-13H,1-2H3,(H,15,16)/b9-8+/t12-,13+/m1/s1.
What are the key properties of (4S,5R)-5-[(E)-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S,5R)-5-[(E)-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 231.30 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-[(E)-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 102013687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).