(4S)-4-benzyl-3-[(E)-2-methylbut-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one;(4S,5S)-4-methyl-5-phenyl-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-3-[(E)-pent-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

C81H83F6N5O15 — CID 157375130

About (4S)-4-benzyl-3-[(E)-2-methylbut-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one;(4S,5S)-4-methyl-5-phenyl-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-3-[(E)-pent-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

(4S)-4-benzyl-3-[(E)-2-methylbut-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one;(4S,5S)-4-methyl-5-phenyl-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-3-[(E)-pent-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 157375130) has the molecular formula C81H83F6N5O15 and a molecular weight of 1480.56 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(E)-2-methylbut-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one;(4S,5S)-4-methyl-5-phenyl-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-3-[(E)-pent-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.

Molecular Properties

• Compound Name: (4S)-4-benzyl-3-[(E)-2-methylbut-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one;(4S,5S)-4-methyl-5-phenyl-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-3-[(E)-pent-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: 157375130
• Molecular Formula: C81H83F6N5O15
• Molecular Weight: 1480.56 g/mol
• Exact Mass: 1479.58
• IUPAC Name: (4S)-4-benzyl-3-[(E)-2-methylbut-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one;(4S,5S)-4-methyl-5-phenyl-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-3-[(E)-pent-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
• SMILES: C/C=C(\C)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.CC(C)[C@H]1COC(=O)N1C(=O)/C=C/c1ccccc1.CC/C=C/C(=O)N1C(=O)OC[C@@H]1C(C)C.C[C@H]1[C@H](c2ccccc2)OC(=O)N1C(=O)/C=C/c1ccc(C(F)(F)F)cc1.O=C(/C=C/c1cccc(C(F)(F)F)c1)N1C(=O)OC[C@@H]1Cc1ccccc1
• InChI: InChI=1S/2C20H16F3NO3.2C15H17NO3.C11H17NO3/c1-13-18(15-5-3-2-4-6-15)27-19(26)24(13)17(25)12-9-14-7-10-16(11-8-14)20(21,22)23;21-20(22,23)16-8-4-7-15(11-16)9-10-18(25)24-17(13-27-19(24)26)12-14-5-2-1-3-6-14;1-11(2)13-10-19-15(18)16(13)14(17)9-8-12-6-4-3-5-7-12;1-3-11(2)14(17)16-13(10-19-15(16)18)9-12-7-5-4-6-8-12;1-4-5-6-10(13)12-9(8(2)3)7-15-11(12)14/h2-13,18H,1H3;1-11,17H,12-13H2;3-9,11,13H,10H2,1-2H3;3-8,13H,9-10H2,1-2H3;5-6,8-9H,4,7H2,1-3H3/b12-9+;10-9+;9-8+;11-3+;6-5+/t13-,18+;17-;2*13-;9-/m00101/s1
• InChIKey: BKFULZSHHAZNIS-JCWNVADKSA-N
• XLogP: 16.34
• TPSA: 233.05 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1480.56
LogP ≤ 5	16.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[(E)-2-methylbut-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one;(4S,5S)-4-methyl-5-phenyl-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-3-[(E)-pent-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?

The IUPAC name of (4S)-4-benzyl-3-[(E)-2-methylbut-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one;(4S,5S)-4-methyl-5-phenyl-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-3-[(E)-pent-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 (CID 157375130) is (4S)-4-benzyl-3-[(E)-2-methylbut-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one;(4S,5S)-4-methyl-5-phenyl-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-3-[(E)-pent-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.

What is the SMILES notation for (4S)-4-benzyl-3-[(E)-2-methylbut-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one;(4S,5S)-4-methyl-5-phenyl-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-3-[(E)-pent-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?

The canonical SMILES for (4S)-4-benzyl-3-[(E)-2-methylbut-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one;(4S,5S)-4-methyl-5-phenyl-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-3-[(E)-pent-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 is C/C=C(\C)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.CC(C)[C@H]1COC(=O)N1C(=O)/C=C/c1ccccc1.CC/C=C/C(=O)N1C(=O)OC[C@@H]1C(C)C.C[C@H]1[C@H](c2ccccc2)OC(=O)N1C(=O)/C=C/c1ccc(C(F)(F)F)cc1.O=C(/C=C/c1cccc(C(F)(F)F)c1)N1C(=O)OC[C@@H]1Cc1ccccc1.

What is the InChIKey of (4S)-4-benzyl-3-[(E)-2-methylbut-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one;(4S,5S)-4-methyl-5-phenyl-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-3-[(E)-pent-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?

The InChIKey is BKFULZSHHAZNIS-JCWNVADKSA-N. The full InChI is InChI=1S/2C20H16F3NO3.2C15H17NO3.C11H17NO3/c1-13-18(15-5-3-2-4-6-15)27-19(26)24(13)17(25)12-9-14-7-10-16(11-8-14)20(21,22)23;21-20(22,23)16-8-4-7-15(11-16)9-10-18(25)24-17(13-27-19(24)26)12-14-5-2-1-3-6-14;1-11(2)13-10-19-15(18)16(13)14(17)9-8-12-6-4-3-5-7-12;1-3-11(2)14(17)16-13(10-19-15(16)18)9-12-7-5-4-6-8-12;1-4-5-6-10(13)12-9(8(2)3)7-15-11(12)14/h2-13,18H,1H3;1-11,17H,12-13H2;3-9,11,13H,10H2,1-2H3;3-8,13H,9-10H2,1-2H3;5-6,8-9H,4,7H2,1-3H3/b12-9+;10-9+;9-8+;11-3+;6-5+/t13-,18+;17-;2*13-;9-/m00101/s1.

What are the key properties of (4S)-4-benzyl-3-[(E)-2-methylbut-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one;(4S,5S)-4-methyl-5-phenyl-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-3-[(E)-pent-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?

(4S)-4-benzyl-3-[(E)-2-methylbut-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one;(4S,5S)-4-methyl-5-phenyl-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-3-[(E)-pent-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 1480.56 g/mol, XLogP of 16.34, 16 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-benzyl-3-[(E)-2-methylbut-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one;(4S,5S)-4-methyl-5-phenyl-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-3-[(E)-pent-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 is sourced from PubChem (CID 157375130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).