(4E)-4-benzylidene-2-tert-butyl-1,2-oxazolidin-5-one

C14H17NO2 — CID 54762435

IUPAC(4E)-4-benzylidene-2-tert-butyl-1,2-oxazolidin-5-one
SMILESCC(C)(C)N1C/C(=C\c2ccccc2)C(=O)O1
InChIInChI=1S/C14H17NO2/c1-14(2,3)15-10-12(13(16)17-15)9-11-7-5-4-6-8-11/h4-9H,10H2,1-3H3/b12-9+
InChIKeyKTFLZBJROLZCTH-FMIVXFBMSA-N
MW231.30 g/mol
LogP2.64
Rot. Bonds1

About (4E)-4-benzylidene-2-tert-butyl-1,2-oxazolidin-5-one

(4E)-4-benzylidene-2-tert-butyl-1,2-oxazolidin-5-one (PubChem CID 54762435) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is (4E)-4-benzylidene-2-tert-butyl-1,2-oxazolidin-5-one.

Molecular Properties

Compound Name(4E)-4-benzylidene-2-tert-butyl-1,2-oxazolidin-5-one
PubChem CID54762435
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name(4E)-4-benzylidene-2-tert-butyl-1,2-oxazolidin-5-one
SMILESCC(C)(C)N1C/C(=C\c2ccccc2)C(=O)O1
InChIInChI=1S/C14H17NO2/c1-14(2,3)15-10-12(13(16)17-15)9-11-7-5-4-6-8-11/h4-9H,10H2,1-3H3/b12-9+
InChIKeyKTFLZBJROLZCTH-FMIVXFBMSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.64
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

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CID 6374106
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CID 92525029
(4E)-4-benzylidene-1-(dimethylamino)pyrrolidine-2,3-dione
CID 39354240
2-benzylidenecyclobutan-1-one
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3,5-dibenzylidene-1-butylpiperidin-4-one
CID 54431976
1-acetyl-3,5-dibenzylidenepiperidin-4-one;N-methylmethanamine
CID 67567619
(2E,8E)-2,8-dibenzylidenecyclooctan-1-one
CID 6439695
(3E,5E)-3,5-dibenzylidene-1-[3-[(3E,5E)-3,5-dibenzylidene-4-oxopiperidine-1-carbonyl]benzoyl]piperidin-4-one
CID 70685306
3-benzylidene-1-ethylpyrrolidine-2,5-dione
CID 75089434
(4Z)-4-benzylidene-2,3-dihydronaphthalen-1-one
CID 10399128
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CID 15315265

Frequently Asked Questions

What is the IUPAC name of (4E)-4-benzylidene-2-tert-butyl-1,2-oxazolidin-5-one?
The IUPAC name of (4E)-4-benzylidene-2-tert-butyl-1,2-oxazolidin-5-one (CID 54762435) is (4E)-4-benzylidene-2-tert-butyl-1,2-oxazolidin-5-one.
What is the SMILES notation for (4E)-4-benzylidene-2-tert-butyl-1,2-oxazolidin-5-one?
The canonical SMILES for (4E)-4-benzylidene-2-tert-butyl-1,2-oxazolidin-5-one is CC(C)(C)N1C/C(=C\c2ccccc2)C(=O)O1.
What is the InChIKey of (4E)-4-benzylidene-2-tert-butyl-1,2-oxazolidin-5-one?
The InChIKey is KTFLZBJROLZCTH-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H17NO2/c1-14(2,3)15-10-12(13(16)17-15)9-11-7-5-4-6-8-11/h4-9H,10H2,1-3H3/b12-9+.
What are the key properties of (4E)-4-benzylidene-2-tert-butyl-1,2-oxazolidin-5-one?
(4E)-4-benzylidene-2-tert-butyl-1,2-oxazolidin-5-one has a molecular weight of 231.30 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-benzylidene-2-tert-butyl-1,2-oxazolidin-5-one is sourced from PubChem (CID 54762435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).