(4R)-3-[(E,5S)-5-methyloct-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one

C18H23NO3 — CID 11278022

IUPAC(4R)-3-[(E,5S)-5-methyloct-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCCC[C@H](C)C/C=C/C(=O)N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C18H23NO3/c1-3-8-14(2)9-7-12-17(20)19-16(13-22-18(19)21)15-10-5-4-6-11-15/h4-7,10-12,14,16H,3,8-9,13H2,1-2H3/b12-7+/t14-,16-/m0/s1
InChIKeyQIWRPZJUOQFEGM-CMIZMYSDSA-N
MW301.39 g/mol
LogP4.09
Rot. Bonds6

About (4R)-3-[(E,5S)-5-methyloct-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one

(4R)-3-[(E,5S)-5-methyloct-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 11278022) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is (4R)-3-[(E,5S)-5-methyloct-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(E,5S)-5-methyloct-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID11278022
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name(4R)-3-[(E,5S)-5-methyloct-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCCC[C@H](C)C/C=C/C(=O)N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C18H23NO3/c1-3-8-14(2)9-7-12-17(20)19-16(13-22-18(19)21)15-10-5-4-6-11-15/h4-7,10-12,14,16H,3,8-9,13H2,1-2H3/b12-7+/t14-,16-/m0/s1
InChIKeyQIWRPZJUOQFEGM-CMIZMYSDSA-N
XLogP4.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.09
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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Related Compounds

(4S)-4-Benzyl-3-propanoyl-1,3-oxazolidin-2-one
CID 2733696
(3S-cis)-(+)-2,3-Dihydro-7a-methyl-3-phenylpyrrolo[2,1-b]oxazol-5(7aH)-one
CID 7157228
(4R)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134136675
3-[4-[Benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134150074
(4S)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134157470
2-Oxazolidinone, 3-(1-oxodecyl)-4-(phenylmethyl)-, (4S)-
CID 10496737
4-Benzyl-3-propionyl-1,3-oxazolidine
CID 11842098
(4S)-3-[(2E)-But-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 5469245
(S)-(+)-3-Acetyl-4-benzyl-2-oxazolidinone
CID 735929
Locostatin
CID 5702600
(4S)-3-methylsulfanyl-4-phenyl-1,3-oxazolidin-2-one
CID 11992675
(4R)-3-methylsulfanyl-4-phenyl-1,3-oxazolidin-2-one
CID 11992676

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(E,5S)-5-methyloct-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(E,5S)-5-methyloct-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 11278022) is (4R)-3-[(E,5S)-5-methyloct-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(E,5S)-5-methyloct-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(E,5S)-5-methyloct-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one is CCC[C@H](C)C/C=C/C(=O)N1C(=O)OC[C@H]1c1ccccc1.
What is the InChIKey of (4R)-3-[(E,5S)-5-methyloct-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is QIWRPZJUOQFEGM-CMIZMYSDSA-N. The full InChI is InChI=1S/C18H23NO3/c1-3-8-14(2)9-7-12-17(20)19-16(13-22-18(19)21)15-10-5-4-6-11-15/h4-7,10-12,14,16H,3,8-9,13H2,1-2H3/b12-7+/t14-,16-/m0/s1.
What are the key properties of (4R)-3-[(E,5S)-5-methyloct-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-[(E,5S)-5-methyloct-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 301.39 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(E,5S)-5-methyloct-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11278022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).