(4R,5S)-4-methyl-5-phenyl-3-[(2S)-2-prop-2-enylhexanoyl]-1,3-oxazolidin-2-one

C19H25NO3 — CID 11109849

IUPAC(4R,5S)-4-methyl-5-phenyl-3-[(2S)-2-prop-2-enylhexanoyl]-1,3-oxazolidin-2-one
SMILESC=CC[C@H](CCCC)C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C19H25NO3/c1-4-6-11-16(10-5-2)18(21)20-14(3)17(23-19(20)22)15-12-8-7-9-13-15/h5,7-9,12-14,16-17H,2,4,6,10-11H2,1,3H3/t14-,16-,17-/m1/s1
InChIKeyKOAKLEBMAKZCHX-DJIMGWMZSA-N
MW315.41 g/mol
LogP4.48
Rot. Bonds7

About (4R,5S)-4-methyl-5-phenyl-3-[(2S)-2-prop-2-enylhexanoyl]-1,3-oxazolidin-2-one

(4R,5S)-4-methyl-5-phenyl-3-[(2S)-2-prop-2-enylhexanoyl]-1,3-oxazolidin-2-one (PubChem CID 11109849) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is (4R,5S)-4-methyl-5-phenyl-3-[(2S)-2-prop-2-enylhexanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-4-methyl-5-phenyl-3-[(2S)-2-prop-2-enylhexanoyl]-1,3-oxazolidin-2-one
PubChem CID11109849
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name(4R,5S)-4-methyl-5-phenyl-3-[(2S)-2-prop-2-enylhexanoyl]-1,3-oxazolidin-2-one
SMILESC=CC[C@H](CCCC)C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C19H25NO3/c1-4-6-11-16(10-5-2)18(21)20-14(3)17(23-19(20)22)15-12-8-7-9-13-15/h5,7-9,12-14,16-17H,2,4,6,10-11H2,1,3H3/t14-,16-,17-/m1/s1
InChIKeyKOAKLEBMAKZCHX-DJIMGWMZSA-N
XLogP4.48
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-methyl-5-phenyl-3-[(2S)-2-prop-2-enylhexanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-4-methyl-5-phenyl-3-[(2S)-2-prop-2-enylhexanoyl]-1,3-oxazolidin-2-one (CID 11109849) is (4R,5S)-4-methyl-5-phenyl-3-[(2S)-2-prop-2-enylhexanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-4-methyl-5-phenyl-3-[(2S)-2-prop-2-enylhexanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-4-methyl-5-phenyl-3-[(2S)-2-prop-2-enylhexanoyl]-1,3-oxazolidin-2-one is C=CC[C@H](CCCC)C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C.
What is the InChIKey of (4R,5S)-4-methyl-5-phenyl-3-[(2S)-2-prop-2-enylhexanoyl]-1,3-oxazolidin-2-one?
The InChIKey is KOAKLEBMAKZCHX-DJIMGWMZSA-N. The full InChI is InChI=1S/C19H25NO3/c1-4-6-11-16(10-5-2)18(21)20-14(3)17(23-19(20)22)15-12-8-7-9-13-15/h5,7-9,12-14,16-17H,2,4,6,10-11H2,1,3H3/t14-,16-,17-/m1/s1.
What are the key properties of (4R,5S)-4-methyl-5-phenyl-3-[(2S)-2-prop-2-enylhexanoyl]-1,3-oxazolidin-2-one?
(4R,5S)-4-methyl-5-phenyl-3-[(2S)-2-prop-2-enylhexanoyl]-1,3-oxazolidin-2-one has a molecular weight of 315.41 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-methyl-5-phenyl-3-[(2S)-2-prop-2-enylhexanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11109849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).