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

C16H19NO3 — CID 15935693

IUPAC(4S)-3-[(Z)-2-methyl-3-phenylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC/C(=C/c1ccccc1)C(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C16H19NO3/c1-11(2)14-10-20-16(19)17(14)15(18)12(3)9-13-7-5-4-6-8-13/h4-9,11,14H,10H2,1-3H3/b12-9-/t14-/m1/s1
InChIKeyLWEVSZYDHMKQNN-FWLQQBITSA-N
MW273.33 g/mol
LogP3.09
Rot. Bonds3

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

(4S)-3-[(Z)-2-methyl-3-phenylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 15935693) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is (4S)-3-[(Z)-2-methyl-3-phenylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(Z)-2-methyl-3-phenylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID15935693
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name(4S)-3-[(Z)-2-methyl-3-phenylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC/C(=C/c1ccccc1)C(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C16H19NO3/c1-11(2)14-10-20-16(19)17(14)15(18)12(3)9-13-7-5-4-6-8-13/h4-9,11,14H,10H2,1-3H3/b12-9-/t14-/m1/s1
InChIKeyLWEVSZYDHMKQNN-FWLQQBITSA-N
XLogP3.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.09
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-[(Z)-2-methyl-3-phenylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(Z)-2-methyl-3-phenylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 15935693) is (4S)-3-[(Z)-2-methyl-3-phenylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(Z)-2-methyl-3-phenylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(Z)-2-methyl-3-phenylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is C/C(=C/c1ccccc1)C(=O)N1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (4S)-3-[(Z)-2-methyl-3-phenylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is LWEVSZYDHMKQNN-FWLQQBITSA-N. The full InChI is InChI=1S/C16H19NO3/c1-11(2)14-10-20-16(19)17(14)15(18)12(3)9-13-7-5-4-6-8-13/h4-9,11,14H,10H2,1-3H3/b12-9-/t14-/m1/s1.
What are the key properties of (4S)-3-[(Z)-2-methyl-3-phenylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(Z)-2-methyl-3-phenylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 273.33 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(Z)-2-methyl-3-phenylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 15935693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).