3-(cyclopentene-1-carbonyl)-4-(2-phenylethyl)-1,3-oxazolidin-2-one

C17H19NO3 — CID 142842398

IUPAC3-(cyclopentene-1-carbonyl)-4-(2-phenylethyl)-1,3-oxazolidin-2-one
SMILESO=C1OCC(CCc2ccccc2)N1C(=O)C1=CCCC1
InChIInChI=1S/C17H19NO3/c19-16(14-8-4-5-9-14)18-15(12-21-17(18)20)11-10-13-6-2-1-3-7-13/h1-3,6-8,15H,4-5,9-12H2
InChIKeyWFRGHHPLVJVWBQ-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.08
Rot. Bonds4

About 3-(cyclopentene-1-carbonyl)-4-(2-phenylethyl)-1,3-oxazolidin-2-one

3-(cyclopentene-1-carbonyl)-4-(2-phenylethyl)-1,3-oxazolidin-2-one (PubChem CID 142842398) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-(cyclopentene-1-carbonyl)-4-(2-phenylethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(cyclopentene-1-carbonyl)-4-(2-phenylethyl)-1,3-oxazolidin-2-one
PubChem CID142842398
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name3-(cyclopentene-1-carbonyl)-4-(2-phenylethyl)-1,3-oxazolidin-2-one
SMILESO=C1OCC(CCc2ccccc2)N1C(=O)C1=CCCC1
InChIInChI=1S/C17H19NO3/c19-16(14-8-4-5-9-14)18-15(12-21-17(18)20)11-10-13-6-2-1-3-7-13/h1-3,6-8,15H,4-5,9-12H2
InChIKeyWFRGHHPLVJVWBQ-UHFFFAOYSA-N
XLogP3.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-benzyl-3-(4-phenylbutanoyl)-1,3-oxazolidin-2-one
CID 10592004
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929
4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 15597771
(4S)-4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 11130206
(4R)-4-benzyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one
CID 70251380
1,6-bis[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,6-dione
CID 92642348
(4R)-4-benzyl-3-[3-(4-chlorophenyl)propanoyl]-1,3-oxazolidin-2-one
CID 69077529
(8aS)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-8a-methyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione
CID 11728644
4-benzyl-3-(3-cyclohexylpropanoyl)-1,3-oxazolidin-2-one
CID 19797155
(4R)-4-benzyl-3-[3-(4-bromophenyl)propanoyl]-1,3-oxazolidin-2-one
CID 57045887
4-benzyl-3-(2-cyclopentyloxyacetyl)-1,3-oxazolidin-2-one
CID 175591418
2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid
CID 82372064

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentene-1-carbonyl)-4-(2-phenylethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(cyclopentene-1-carbonyl)-4-(2-phenylethyl)-1,3-oxazolidin-2-one (CID 142842398) is 3-(cyclopentene-1-carbonyl)-4-(2-phenylethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(cyclopentene-1-carbonyl)-4-(2-phenylethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(cyclopentene-1-carbonyl)-4-(2-phenylethyl)-1,3-oxazolidin-2-one is O=C1OCC(CCc2ccccc2)N1C(=O)C1=CCCC1.
What is the InChIKey of 3-(cyclopentene-1-carbonyl)-4-(2-phenylethyl)-1,3-oxazolidin-2-one?
The InChIKey is WFRGHHPLVJVWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c19-16(14-8-4-5-9-14)18-15(12-21-17(18)20)11-10-13-6-2-1-3-7-13/h1-3,6-8,15H,4-5,9-12H2.
What are the key properties of 3-(cyclopentene-1-carbonyl)-4-(2-phenylethyl)-1,3-oxazolidin-2-one?
3-(cyclopentene-1-carbonyl)-4-(2-phenylethyl)-1,3-oxazolidin-2-one has a molecular weight of 285.34 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentene-1-carbonyl)-4-(2-phenylethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 142842398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).