(4S)-3-[(E)-3-phenylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C15H17NO3 — CID 10355199

IUPAC(4S)-3-[(E)-3-phenylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)/C=C/c1ccccc1
InChIInChI=1S/C15H17NO3/c1-11(2)13-10-19-15(18)16(13)14(17)9-8-12-6-4-3-5-7-12/h3-9,11,13H,10H2,1-2H3/b9-8+/t13-/m1/s1
InChIKeyPNZYNDNOSVFRMU-MMQHEFTJSA-N
MW259.31 g/mol
LogP2.70
Rot. Bonds3

About (4S)-3-[(E)-3-phenylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(E)-3-phenylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 10355199) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is (4S)-3-[(E)-3-phenylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(E)-3-phenylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID10355199
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name(4S)-3-[(E)-3-phenylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)/C=C/c1ccccc1
InChIInChI=1S/C15H17NO3/c1-11(2)13-10-19-15(18)16(13)14(17)9-8-12-6-4-3-5-7-12/h3-9,11,13H,10H2,1-2H3/b9-8+/t13-/m1/s1
InChIKeyPNZYNDNOSVFRMU-MMQHEFTJSA-N
XLogP2.70
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(E)-3-phenylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(E)-3-phenylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 10355199) is (4S)-3-[(E)-3-phenylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(E)-3-phenylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(E)-3-phenylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1C(=O)/C=C/c1ccccc1.
What is the InChIKey of (4S)-3-[(E)-3-phenylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is PNZYNDNOSVFRMU-MMQHEFTJSA-N. The full InChI is InChI=1S/C15H17NO3/c1-11(2)13-10-19-15(18)16(13)14(17)9-8-12-6-4-3-5-7-12/h3-9,11,13H,10H2,1-2H3/b9-8+/t13-/m1/s1.
What are the key properties of (4S)-3-[(E)-3-phenylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(E)-3-phenylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 259.31 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(E)-3-phenylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10355199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).