3-[(1R,2S,3R,4S)-3-phenylbicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one

C17H17NO3 — CID 51346284

IUPAC3-[(1R,2S,3R,4S)-3-phenylbicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(=O)[C@@H]1[C@H](c2ccccc2)[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C17H17NO3/c19-16(18-8-9-21-17(18)20)15-13-7-6-12(10-13)14(15)11-4-2-1-3-5-11/h1-7,12-15H,8-10H2/t12-,13+,14-,15+/m1/s1
InChIKeyCXYHUBVSSKWUFZ-BARDWOONSA-N
MW283.33 g/mol
LogP2.57
Rot. Bonds2

About 3-[(1R,2S,3R,4S)-3-phenylbicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one

3-[(1R,2S,3R,4S)-3-phenylbicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 51346284) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-[(1R,2S,3R,4S)-3-phenylbicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(1R,2S,3R,4S)-3-phenylbicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one
PubChem CID51346284
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name3-[(1R,2S,3R,4S)-3-phenylbicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(=O)[C@@H]1[C@H](c2ccccc2)[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C17H17NO3/c19-16(18-8-9-21-17(18)20)15-13-7-6-12(10-13)14(15)11-4-2-1-3-5-11/h1-7,12-15H,8-10H2/t12-,13+,14-,15+/m1/s1
InChIKeyCXYHUBVSSKWUFZ-BARDWOONSA-N
XLogP2.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.57
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

3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one
CID 101132286
phenyl-[(1R,2R,3S,4R)-3-phenyl-2-bicyclo[2.2.1]hept-5-enyl]methanone
CID 99951737
3-[(1S,4R)-3-pentylbicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one
CID 10755013
2,2,2-trifluoro-1-[(1R,2S,3S,4S)-3-phenyl-2-bicyclo[2.2.1]hept-5-enyl]ethanone
CID 101128587
3-[(3R,4R,5S)-2-tert-butyl-5-methyl-3-phenyl-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one
CID 101040640
3-(3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one
CID 139985373
[(1S,2S,3S,4R)-3-phenyl-2-bicyclo[2.2.1]hept-5-enyl]-pyridin-2-ylmethanone
CID 102003805
benzyl (1S,2R,3R,4R)-3-phenylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 11055843
[(1R,2R,3R,4S)-3-phenyl-2-bicyclo[2.2.1]hept-5-enyl]-pyridin-2-ylmethanone
CID 102003806
(4R)-4-benzyl-3-(3-naphthalen-2-ylbicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one
CID 154385440
3-[(1S,2S,5S,6R)-5,6-dimethyl-2-phenyl-4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
CID 102037754
[(1R,2R,3S,4R)-3-benzoyl-2-bicyclo[2.2.1]hept-5-enyl]-phenylmethanone
CID 98136767

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2S,3R,4S)-3-phenylbicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(1R,2S,3R,4S)-3-phenylbicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one (CID 51346284) is 3-[(1R,2S,3R,4S)-3-phenylbicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(1R,2S,3R,4S)-3-phenylbicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(1R,2S,3R,4S)-3-phenylbicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one is O=C1OCCN1C(=O)[C@@H]1[C@H](c2ccccc2)[C@@H]2C=C[C@H]1C2.
What is the InChIKey of 3-[(1R,2S,3R,4S)-3-phenylbicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is CXYHUBVSSKWUFZ-BARDWOONSA-N. The full InChI is InChI=1S/C17H17NO3/c19-16(18-8-9-21-17(18)20)15-13-7-6-12(10-13)14(15)11-4-2-1-3-5-11/h1-7,12-15H,8-10H2/t12-,13+,14-,15+/m1/s1.
What are the key properties of 3-[(1R,2S,3R,4S)-3-phenylbicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one?
3-[(1R,2S,3R,4S)-3-phenylbicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 283.33 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2S,3R,4S)-3-phenylbicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 51346284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).