(4S)-4-benzyl-3-butanoyl-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-3-[(E)-but-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C73H83N5O15 — CID 158465202

IUPAC(4S)-4-benzyl-3-butanoyl-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-3-[(E)-but-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC/C=C/C(=O)N1C(=O)OC[C@@H]1C(C)C.CC/C=C/C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.CC/C=C/C(=O)N1C(=O)OC[C@H]1Cc1ccccc1.CCCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.O=C(/C=C/c1ccccc1)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C19H17NO3.2C15H17NO3.C14H17NO3.C10H15NO3/c21-18(12-11-15-7-3-1-4-8-15)20-17(14-23-19(20)22)13-16-9-5-2-6-10-16;2*1-2-3-9-14(17)16-13(11-19-15(16)18)10-12-7-5-4-6-8-12;1-2-6-13(16)15-12(10-18-14(15)17)9-11-7-4-3-5-8-11;1-4-5-9(12)11-8(7(2)3)6-14-10(11)13/h1-12,17H,13-14H2;2*3-9,13H,2,10-11H2,1H3;3-5,7-8,12H,2,6,9-10H2,1H3;4-5,7-8H,6H2,1-3H3/b12-11+;2*9-3+;;5-4+/t17-;2*13-;12-;8-/m01001/s1
InChIKeyHFQYXZTXGYPMFJ-SRCDYNBUSA-N
MW1270.49 g/mol
LogP12.32
Rot. Bonds18

About (4S)-4-benzyl-3-butanoyl-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-3-[(E)-but-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-butanoyl-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-3-[(E)-but-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 158465202) has the molecular formula C73H83N5O15 and a molecular weight of 1270.49 g/mol. Its IUPAC name is (4S)-4-benzyl-3-butanoyl-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-3-[(E)-but-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-butanoyl-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-3-[(E)-but-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID158465202
Molecular FormulaC73H83N5O15
Molecular Weight1270.49 g/mol
Exact Mass1269.59
IUPAC Name(4S)-4-benzyl-3-butanoyl-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-3-[(E)-but-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC/C=C/C(=O)N1C(=O)OC[C@@H]1C(C)C.CC/C=C/C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.CC/C=C/C(=O)N1C(=O)OC[C@H]1Cc1ccccc1.CCCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.O=C(/C=C/c1ccccc1)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C19H17NO3.2C15H17NO3.C14H17NO3.C10H15NO3/c21-18(12-11-15-7-3-1-4-8-15)20-17(14-23-19(20)22)13-16-9-5-2-6-10-16;2*1-2-3-9-14(17)16-13(11-19-15(16)18)10-12-7-5-4-6-8-12;1-2-6-13(16)15-12(10-18-14(15)17)9-11-7-4-3-5-8-11;1-4-5-9(12)11-8(7(2)3)6-14-10(11)13/h1-12,17H,13-14H2;2*3-9,13H,2,10-11H2,1H3;3-5,7-8,12H,2,6,9-10H2,1H3;4-5,7-8H,6H2,1-3H3/b12-11+;2*9-3+;;5-4+/t17-;2*13-;12-;8-/m01001/s1
InChIKeyHFQYXZTXGYPMFJ-SRCDYNBUSA-N
XLogP12.32
TPSA233.05 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001270.49
LogP ≤ 512.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4S)-4-benzyl-3-butanoyl-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-3-[(E)-but-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-butanoyl-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-3-[(E)-but-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-butanoyl-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-3-[(E)-but-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 158465202) is (4S)-4-benzyl-3-butanoyl-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-3-[(E)-but-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-butanoyl-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-3-[(E)-but-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-butanoyl-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-3-[(E)-but-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is C/C=C/C(=O)N1C(=O)OC[C@@H]1C(C)C.CC/C=C/C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.CC/C=C/C(=O)N1C(=O)OC[C@H]1Cc1ccccc1.CCCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.O=C(/C=C/c1ccccc1)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-butanoyl-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-3-[(E)-but-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is HFQYXZTXGYPMFJ-SRCDYNBUSA-N. The full InChI is InChI=1S/C19H17NO3.2C15H17NO3.C14H17NO3.C10H15NO3/c21-18(12-11-15-7-3-1-4-8-15)20-17(14-23-19(20)22)13-16-9-5-2-6-10-16;2*1-2-3-9-14(17)16-13(11-19-15(16)18)10-12-7-5-4-6-8-12;1-2-6-13(16)15-12(10-18-14(15)17)9-11-7-4-3-5-8-11;1-4-5-9(12)11-8(7(2)3)6-14-10(11)13/h1-12,17H,13-14H2;2*3-9,13H,2,10-11H2,1H3;3-5,7-8,12H,2,6,9-10H2,1H3;4-5,7-8H,6H2,1-3H3/b12-11+;2*9-3+;;5-4+/t17-;2*13-;12-;8-/m01001/s1.
What are the key properties of (4S)-4-benzyl-3-butanoyl-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-3-[(E)-but-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-butanoyl-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-3-[(E)-but-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 1270.49 g/mol, XLogP of 12.32, 18 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-butanoyl-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-3-[(E)-but-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 158465202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).