3-[7-(phenylmethoxymethyl)bicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one

C19H21NO4 — CID 15012974

IUPAC3-[7-(phenylmethoxymethyl)bicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(=O)C1CC2C=CC1C2COCc1ccccc1
InChIInChI=1S/C19H21NO4/c21-18(20-8-9-24-19(20)22)16-10-14-6-7-15(16)17(14)12-23-11-13-4-2-1-3-5-13/h1-7,14-17H,8-12H2
InChIKeyOYYJSNFUAQPYQG-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.62
Rot. Bonds5

About 3-[7-(phenylmethoxymethyl)bicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one

3-[7-(phenylmethoxymethyl)bicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 15012974) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-[7-(phenylmethoxymethyl)bicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[7-(phenylmethoxymethyl)bicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one
PubChem CID15012974
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name3-[7-(phenylmethoxymethyl)bicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(=O)C1CC2C=CC1C2COCc1ccccc1
InChIInChI=1S/C19H21NO4/c21-18(20-8-9-24-19(20)22)16-10-14-6-7-15(16)17(14)12-23-11-13-4-2-1-3-5-13/h1-7,14-17H,8-12H2
InChIKeyOYYJSNFUAQPYQG-UHFFFAOYSA-N
XLogP2.62
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.62
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

4-[2-(Benzyloxy)ethyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
CID 2945732
(4S)-4-benzyl-3-[(2S)-2-methyl-5-phenylmethoxypentanoyl]-1,3-oxazolidin-2-one
CID 22949804
dibenzyl 2-[(2R)-2-methyl-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propyl]propanedioate
CID 101517357
Benzyl 3-(2-ethoxycarbonylcyclopropyl)-4-fluoropyrrolidine-1-carboxylate
CID 17940525
2-O-benzyl 3-O-ethyl (3S,3aS,6S,6aR)-6-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2,3-dicarboxylate
CID 59519886
benzyl (3S,4S)-3-(2-ethoxycarbonylcyclopropyl)-4-fluoropyrrolidine-1-carboxylate
CID 69703345
2-O-benzyl 3-O-ethyl 6-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2,3-dicarboxylate
CID 76460547
2-O-benzyl 3-O-ethyl (3S,3aS,6S)-6-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2,3-dicarboxylate
CID 90144494
Benzyl 5-fluoro-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
CID 140074589
(4S)-3-[(1R,2R,3S,4S)-3-methylbicyclo[2.2.1]hept-5-ene-2-carbonyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11069733
tert-butyl (5S)-2-oxo-5-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 11289720
3-[(3R)-7-chloro-4,4-dimethyl-3-(2-phenylmethoxyethyl)heptanoyl]-1,3-oxazolidin-2-one
CID 11452241

Frequently Asked Questions

What is the IUPAC name of 3-[7-(phenylmethoxymethyl)bicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[7-(phenylmethoxymethyl)bicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one (CID 15012974) is 3-[7-(phenylmethoxymethyl)bicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[7-(phenylmethoxymethyl)bicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[7-(phenylmethoxymethyl)bicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one is O=C1OCCN1C(=O)C1CC2C=CC1C2COCc1ccccc1.
What is the InChIKey of 3-[7-(phenylmethoxymethyl)bicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is OYYJSNFUAQPYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c21-18(20-8-9-24-19(20)22)16-10-14-6-7-15(16)17(14)12-23-11-13-4-2-1-3-5-13/h1-7,14-17H,8-12H2.
What are the key properties of 3-[7-(phenylmethoxymethyl)bicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one?
3-[7-(phenylmethoxymethyl)bicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 327.38 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(phenylmethoxymethyl)bicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 15012974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).