(4R)-4-benzyl-3-(5-methylhex-5-enoyl)-1,3-oxazolidin-2-one

C17H21NO3 — CID 59951666

IUPAC(4R)-4-benzyl-3-(5-methylhex-5-enoyl)-1,3-oxazolidin-2-one
SMILESC=C(C)CCCC(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C17H21NO3/c1-13(2)7-6-10-16(19)18-15(12-21-17(18)20)11-14-8-4-3-5-9-14/h3-5,8-9,15H,1,6-7,10-12H2,2H3/t15-/m1/s1
InChIKeyWWFURXDDRMRVAP-OAHLLOKOSA-N
MW287.36 g/mol
LogP3.32
Rot. Bonds6

About (4R)-4-benzyl-3-(5-methylhex-5-enoyl)-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-(5-methylhex-5-enoyl)-1,3-oxazolidin-2-one (PubChem CID 59951666) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is (4R)-4-benzyl-3-(5-methylhex-5-enoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-(5-methylhex-5-enoyl)-1,3-oxazolidin-2-one
PubChem CID59951666
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name(4R)-4-benzyl-3-(5-methylhex-5-enoyl)-1,3-oxazolidin-2-one
SMILESC=C(C)CCCC(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C17H21NO3/c1-13(2)7-6-10-16(19)18-15(12-21-17(18)20)11-14-8-4-3-5-9-14/h3-5,8-9,15H,1,6-7,10-12H2,2H3/t15-/m1/s1
InChIKeyWWFURXDDRMRVAP-OAHLLOKOSA-N
XLogP3.32
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3,3-Dimethyl-2-oxo-butyryl)-pyrrolidine-2-carboxylic acid 3-phenyl-propyl ester
CID 44365151
(S)-1-(3,3-Dimethyl-2-oxo-pentanoyl)-pyrrolidine-2-carboxylic acid 3-phenyl-propyl ester
CID 9906857
1-(3,3-Dimethyl-2-oxo-pentanoyl)-pyrrolidine-2-carboxylic acid 3-phenyl-propyl ester
CID 23555949
3-(6-Phenylhexanoyl) oxazolidin-2-one
CID 101746948
3-[6-(4-Methylphenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 132141138
3-[6-(3-Methylphenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 132141223
(4S)-4-Benzyl-3-propanoyl-1,3-oxazolidin-2-one
CID 2733696
dimethyl (2R,5R)-5-benzyl-2-methyl-2H-pyrrole-1,5-dicarboxylate
CID 5459719
3-[6-[3-(Trifluoromethyl)phenyl]hexanoyl]-1,3-oxazolidin-2-one
CID 145976181
methyl (2R,5R)-1-acetyl-5-benzyl-2-methyl-2H-pyrrole-5-carboxylate
CID 5459717
2-Oxazolidinone, 3-(1-oxodecyl)-4-(phenylmethyl)-, (4S)-
CID 10496737
4-Benzyl-3-propionyl-1,3-oxazolidine
CID 11842098

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-(5-methylhex-5-enoyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-(5-methylhex-5-enoyl)-1,3-oxazolidin-2-one (CID 59951666) is (4R)-4-benzyl-3-(5-methylhex-5-enoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-(5-methylhex-5-enoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-(5-methylhex-5-enoyl)-1,3-oxazolidin-2-one is C=C(C)CCCC(=O)N1C(=O)OC[C@H]1Cc1ccccc1.
What is the InChIKey of (4R)-4-benzyl-3-(5-methylhex-5-enoyl)-1,3-oxazolidin-2-one?
The InChIKey is WWFURXDDRMRVAP-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21NO3/c1-13(2)7-6-10-16(19)18-15(12-21-17(18)20)11-14-8-4-3-5-9-14/h3-5,8-9,15H,1,6-7,10-12H2,2H3/t15-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-(5-methylhex-5-enoyl)-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-(5-methylhex-5-enoyl)-1,3-oxazolidin-2-one has a molecular weight of 287.36 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-(5-methylhex-5-enoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 59951666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).