(4R,5S)-3-[(2R)-2-(methoxymethoxy)hex-5-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one

C18H23NO5 — CID 134870599

IUPAC(4R,5S)-3-[(2R)-2-(methoxymethoxy)hex-5-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESC=CCC[C@@H](OCOC)C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C18H23NO5/c1-4-5-11-15(23-12-22-3)17(20)19-13(2)16(24-18(19)21)14-9-7-6-8-10-14/h4,6-10,13,15-16H,1,5,11-12H2,2-3H3/t13-,15-,16-/m1/s1
InChIKeyBYWRVMWHGYCNFP-FVQBIDKESA-N
MW333.38 g/mol
LogP3.05
Rot. Bonds8

About (4R,5S)-3-[(2R)-2-(methoxymethoxy)hex-5-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one

(4R,5S)-3-[(2R)-2-(methoxymethoxy)hex-5-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 134870599) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is (4R,5S)-3-[(2R)-2-(methoxymethoxy)hex-5-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-3-[(2R)-2-(methoxymethoxy)hex-5-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
PubChem CID134870599
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Name(4R,5S)-3-[(2R)-2-(methoxymethoxy)hex-5-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESC=CCC[C@@H](OCOC)C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C18H23NO5/c1-4-5-11-15(23-12-22-3)17(20)19-13(2)16(24-18(19)21)14-9-7-6-8-10-14/h4,6-10,13,15-16H,1,5,11-12H2,2-3H3/t13-,15-,16-/m1/s1
InChIKeyBYWRVMWHGYCNFP-FVQBIDKESA-N
XLogP3.05
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-3-[(2R)-2-(methoxymethoxy)hex-5-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-3-[(2R)-2-(methoxymethoxy)hex-5-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (CID 134870599) is (4R,5S)-3-[(2R)-2-(methoxymethoxy)hex-5-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-3-[(2R)-2-(methoxymethoxy)hex-5-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-3-[(2R)-2-(methoxymethoxy)hex-5-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one is C=CCC[C@@H](OCOC)C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C.
What is the InChIKey of (4R,5S)-3-[(2R)-2-(methoxymethoxy)hex-5-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is BYWRVMWHGYCNFP-FVQBIDKESA-N. The full InChI is InChI=1S/C18H23NO5/c1-4-5-11-15(23-12-22-3)17(20)19-13(2)16(24-18(19)21)14-9-7-6-8-10-14/h4,6-10,13,15-16H,1,5,11-12H2,2-3H3/t13-,15-,16-/m1/s1.
What are the key properties of (4R,5S)-3-[(2R)-2-(methoxymethoxy)hex-5-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
(4R,5S)-3-[(2R)-2-(methoxymethoxy)hex-5-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 333.38 g/mol, XLogP of 3.05, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-3-[(2R)-2-(methoxymethoxy)hex-5-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 134870599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).