(2E,5S)-2-(2-oxo-4-phenylbutylidene)-5-propan-2-yl-1,3-oxazolidin-4-one

C16H19NO3 — CID 155548250

IUPAC(2E,5S)-2-(2-oxo-4-phenylbutylidene)-5-propan-2-yl-1,3-oxazolidin-4-one
SMILESCC(C)[C@@H]1O/C(=C/C(=O)CCc2ccccc2)NC1=O
InChIInChI=1S/C16H19NO3/c1-11(2)15-16(19)17-14(20-15)10-13(18)9-8-12-6-4-3-5-7-12/h3-7,10-11,15H,8-9H2,1-2H3,(H,17,19)/b14-10+/t15-/m0/s1
InChIKeyCNFNCDCTTSCBPL-IPJDOKCGSA-N
MW273.33 g/mol
LogP2.20
Rot. Bonds5

About (2E,5S)-2-(2-oxo-4-phenylbutylidene)-5-propan-2-yl-1,3-oxazolidin-4-one

(2E,5S)-2-(2-oxo-4-phenylbutylidene)-5-propan-2-yl-1,3-oxazolidin-4-one (PubChem CID 155548250) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is (2E,5S)-2-(2-oxo-4-phenylbutylidene)-5-propan-2-yl-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name(2E,5S)-2-(2-oxo-4-phenylbutylidene)-5-propan-2-yl-1,3-oxazolidin-4-one
PubChem CID155548250
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name(2E,5S)-2-(2-oxo-4-phenylbutylidene)-5-propan-2-yl-1,3-oxazolidin-4-one
SMILESCC(C)[C@@H]1O/C(=C/C(=O)CCc2ccccc2)NC1=O
InChIInChI=1S/C16H19NO3/c1-11(2)15-16(19)17-14(20-15)10-13(18)9-8-12-6-4-3-5-7-12/h3-7,10-11,15H,8-9H2,1-2H3,(H,17,19)/b14-10+/t15-/m0/s1
InChIKeyCNFNCDCTTSCBPL-IPJDOKCGSA-N
XLogP2.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-[3-(4-bromophenyl)-2-oxopropylidene]-5-propan-2-yl-1,3-oxazolidin-4-one
CID 134284894
6-(3-aminopropanoyl)-2-propan-2-yl-4H-1,4-benzoxazin-3-one
CID 82339519
(3R,4S)-4-(2-phenylethyl)-3-propan-2-ylazetidin-2-one
CID 15422959
3-[(3-oxo-2-propan-2-yl-4H-1,4-benzoxazin-6-yl)sulfonyl]propanoic acid
CID 82355032
4-bromo-1-phenylpentan-3-one
CID 121216753
(E)-1,7-diphenylhept-4-en-3-one;ethane
CID 91159824
N-[4-(2,4-dioxo-1,3-oxazolidin-5-yl)phenyl]-3-phenylpropanamide
CID 110720611
(4R)-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11010755
6-(2-aminoacetyl)-2-propan-2-yl-4H-1,4-benzoxazin-3-one
CID 82339517
2-[methyl(3-phenylpropanoyl)amino]propanoic acid
CID 62626349
(E)-1-phenyloct-4-en-3-one
CID 12588926
methyl 2-methyl-3-oxo-5-phenylpentanoate
CID 12583050

Frequently Asked Questions

What is the IUPAC name of (2E,5S)-2-(2-oxo-4-phenylbutylidene)-5-propan-2-yl-1,3-oxazolidin-4-one?
The IUPAC name of (2E,5S)-2-(2-oxo-4-phenylbutylidene)-5-propan-2-yl-1,3-oxazolidin-4-one (CID 155548250) is (2E,5S)-2-(2-oxo-4-phenylbutylidene)-5-propan-2-yl-1,3-oxazolidin-4-one.
What is the SMILES notation for (2E,5S)-2-(2-oxo-4-phenylbutylidene)-5-propan-2-yl-1,3-oxazolidin-4-one?
The canonical SMILES for (2E,5S)-2-(2-oxo-4-phenylbutylidene)-5-propan-2-yl-1,3-oxazolidin-4-one is CC(C)[C@@H]1O/C(=C/C(=O)CCc2ccccc2)NC1=O.
What is the InChIKey of (2E,5S)-2-(2-oxo-4-phenylbutylidene)-5-propan-2-yl-1,3-oxazolidin-4-one?
The InChIKey is CNFNCDCTTSCBPL-IPJDOKCGSA-N. The full InChI is InChI=1S/C16H19NO3/c1-11(2)15-16(19)17-14(20-15)10-13(18)9-8-12-6-4-3-5-7-12/h3-7,10-11,15H,8-9H2,1-2H3,(H,17,19)/b14-10+/t15-/m0/s1.
What are the key properties of (2E,5S)-2-(2-oxo-4-phenylbutylidene)-5-propan-2-yl-1,3-oxazolidin-4-one?
(2E,5S)-2-(2-oxo-4-phenylbutylidene)-5-propan-2-yl-1,3-oxazolidin-4-one has a molecular weight of 273.33 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5S)-2-(2-oxo-4-phenylbutylidene)-5-propan-2-yl-1,3-oxazolidin-4-one is sourced from PubChem (CID 155548250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).