(4R)-3-benzyl-4-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxazolidin-2-one

C17H21NO4 — CID 10590550

IUPAC(4R)-3-benzyl-4-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxazolidin-2-one
SMILESC=C[C@H]1OC(C)(C)O[C@@H]1[C@H]1COC(=O)N1Cc1ccccc1
InChIInChI=1S/C17H21NO4/c1-4-14-15(22-17(2,3)21-14)13-11-20-16(19)18(13)10-12-8-6-5-7-9-12/h4-9,13-15H,1,10-11H2,2-3H3/t13-,14-,15-/m1/s1
InChIKeyXODRKVQZHGMBSU-RBSFLKMASA-N
MW303.36 g/mol
LogP2.71
Rot. Bonds4

About (4R)-3-benzyl-4-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxazolidin-2-one

(4R)-3-benzyl-4-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxazolidin-2-one (PubChem CID 10590550) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is (4R)-3-benzyl-4-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-benzyl-4-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxazolidin-2-one
PubChem CID10590550
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name(4R)-3-benzyl-4-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxazolidin-2-one
SMILESC=C[C@H]1OC(C)(C)O[C@@H]1[C@H]1COC(=O)N1Cc1ccccc1
InChIInChI=1S/C17H21NO4/c1-4-14-15(22-17(2,3)21-14)13-11-20-16(19)18(13)10-12-8-6-5-7-9-12/h4-9,13-15H,1,10-11H2,2-3H3/t13-,14-,15-/m1/s1
InChIKeyXODRKVQZHGMBSU-RBSFLKMASA-N
XLogP2.71
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3aS,4R,6aR)-5-benzyl-4-ethenyl-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole
CID 11345972
(3R)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-ethenyl-4,4-dimethoxy-3,7-dihydrooxazepine
CID 12166714
Tert-butyl 4-(3-fluorophenyl)-5-(methoxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 57215079
1-fluorobutyl (4S,5R)-5-ethenyl-2,2-dimethyl-4-phenyl-1,3-oxazolidine-3-carboxylate
CID 69571694
(3aS,4S,6R,6aR)-5-benzyl-4-ethenyl-2,2,6-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole
CID 10989425
(3'aR,4S,5S,5'R,6'aR)-3-benzyl-5'-ethenyl-2',2',5-trimethylspiro[1,3-oxazolidine-4,6'-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-2-one
CID 11473430
(1S,5S,9S,25S)-17-benzyl-7,7,27,27-tetramethyl-3,6,8,11,14,20,23,26,28-nonaoxa-17-azatricyclo[23.3.0.05,9]octacosane
CID 14112319
tert-butyl (2R,4R)-2-(3-methylnona-1,2-dienyl)-4-phenyl-1,3-oxazolidine-3-carboxylate
CID 15507625
Benzyl 6-prop-2-enyl-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxylate
CID 46838370
(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(1S)-1-phenylethyl]-N-prop-2-enylbut-3-en-1-amine
CID 56651054
3-Benzyl-5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 73062331
[(2R)-2-[(4S,5S)-3-benzhydryl-2-oxo-4-[(E)-2-phenylethenyl]-1,3-oxazolidin-5-yl]-2-pentan-3-yloxyethyl] tert-butyl carbonate
CID 134841600

Frequently Asked Questions

What is the IUPAC name of (4R)-3-benzyl-4-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-benzyl-4-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxazolidin-2-one (CID 10590550) is (4R)-3-benzyl-4-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-benzyl-4-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-benzyl-4-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxazolidin-2-one is C=C[C@H]1OC(C)(C)O[C@@H]1[C@H]1COC(=O)N1Cc1ccccc1.
What is the InChIKey of (4R)-3-benzyl-4-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is XODRKVQZHGMBSU-RBSFLKMASA-N. The full InChI is InChI=1S/C17H21NO4/c1-4-14-15(22-17(2,3)21-14)13-11-20-16(19)18(13)10-12-8-6-5-7-9-12/h4-9,13-15H,1,10-11H2,2-3H3/t13-,14-,15-/m1/s1.
What are the key properties of (4R)-3-benzyl-4-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxazolidin-2-one?
(4R)-3-benzyl-4-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 303.36 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-benzyl-4-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10590550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).