(4R)-3-(2-cyclopentylideneacetyl)-4-phenyl-1,3-oxazolidin-2-one

C16H17NO3 — CID 134866525

IUPAC(4R)-3-(2-cyclopentylideneacetyl)-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C(C=C1CCCC1)N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C16H17NO3/c18-15(10-12-6-4-5-7-12)17-14(11-20-16(17)19)13-8-2-1-3-9-13/h1-3,8-10,14H,4-7,11H2/t14-/m0/s1
InChIKeyMWUKFIOQGQMUIX-AWEZNQCLSA-N
MW271.32 g/mol
LogP3.21
Rot. Bonds2

About (4R)-3-(2-cyclopentylideneacetyl)-4-phenyl-1,3-oxazolidin-2-one

(4R)-3-(2-cyclopentylideneacetyl)-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 134866525) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is (4R)-3-(2-cyclopentylideneacetyl)-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-(2-cyclopentylideneacetyl)-4-phenyl-1,3-oxazolidin-2-one
PubChem CID134866525
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name(4R)-3-(2-cyclopentylideneacetyl)-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C(C=C1CCCC1)N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C16H17NO3/c18-15(10-12-6-4-5-7-12)17-14(11-20-16(17)19)13-8-2-1-3-9-13/h1-3,8-10,14H,4-7,11H2/t14-/m0/s1
InChIKeyMWUKFIOQGQMUIX-AWEZNQCLSA-N
XLogP3.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-3-cyclopropylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 22912437
(4R)-3-[(E)-3-cyclopropylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 10848742
(4R)-3-[(E)-3-methylpent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 101113986
(4S)-3-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 170696027
(4S)-3-[(E)-hex-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 101031105
3-[3-(4-fluorophenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 72797044
(4S)-3-[(E)-3-(3-amino-4-iodophenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 12002759
(2R,3R)-1,4-bis[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2,3-diphenylbutane-1,4-dione
CID 10482928
(4R)-3-[(E)-3-(3-iodophenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 167227898
4-phenyl-3-(2-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 59942448
3-[(E)-3-(2-phenoxyphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 175348980
(4R)-4-phenyl-3-[3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one
CID 68991695

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(2-cyclopentylideneacetyl)-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-(2-cyclopentylideneacetyl)-4-phenyl-1,3-oxazolidin-2-one (CID 134866525) is (4R)-3-(2-cyclopentylideneacetyl)-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-(2-cyclopentylideneacetyl)-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-(2-cyclopentylideneacetyl)-4-phenyl-1,3-oxazolidin-2-one is O=C(C=C1CCCC1)N1C(=O)OC[C@H]1c1ccccc1.
What is the InChIKey of (4R)-3-(2-cyclopentylideneacetyl)-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is MWUKFIOQGQMUIX-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17NO3/c18-15(10-12-6-4-5-7-12)17-14(11-20-16(17)19)13-8-2-1-3-9-13/h1-3,8-10,14H,4-7,11H2/t14-/m0/s1.
What are the key properties of (4R)-3-(2-cyclopentylideneacetyl)-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-(2-cyclopentylideneacetyl)-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 271.32 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(2-cyclopentylideneacetyl)-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 134866525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).