(4E)-2-prop-1-en-2-yl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one

C11H9NO2S — CID 7304049

IUPAC(4E)-2-prop-1-en-2-yl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one
SMILESC=C(C)C1=N/C(=C/c2cccs2)C(=O)O1
InChIInChI=1S/C11H9NO2S/c1-7(2)10-12-9(11(13)14-10)6-8-4-3-5-15-8/h3-6H,1H2,2H3/b9-6+
InChIKeyFSYWFLZVNDXBRZ-RMKNXTFCSA-N
MW219.26 g/mol
LogP2.62
Rot. Bonds2

About (4E)-2-prop-1-en-2-yl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one

(4E)-2-prop-1-en-2-yl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one (PubChem CID 7304049) has the molecular formula C11H9NO2S and a molecular weight of 219.26 g/mol. Its IUPAC name is (4E)-2-prop-1-en-2-yl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-2-prop-1-en-2-yl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one
PubChem CID7304049
Molecular FormulaC11H9NO2S
Molecular Weight219.26 g/mol
Exact Mass219.04
IUPAC Name(4E)-2-prop-1-en-2-yl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one
SMILESC=C(C)C1=N/C(=C/c2cccs2)C(=O)O1
InChIInChI=1S/C11H9NO2S/c1-7(2)10-12-9(11(13)14-10)6-8-4-3-5-15-8/h3-6H,1H2,2H3/b9-6+
InChIKeyFSYWFLZVNDXBRZ-RMKNXTFCSA-N
XLogP2.62
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E)-2-prop-1-en-2-yl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one?
The IUPAC name of (4E)-2-prop-1-en-2-yl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one (CID 7304049) is (4E)-2-prop-1-en-2-yl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-2-prop-1-en-2-yl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one?
The canonical SMILES for (4E)-2-prop-1-en-2-yl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one is C=C(C)C1=N/C(=C/c2cccs2)C(=O)O1.
What is the InChIKey of (4E)-2-prop-1-en-2-yl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one?
The InChIKey is FSYWFLZVNDXBRZ-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H9NO2S/c1-7(2)10-12-9(11(13)14-10)6-8-4-3-5-15-8/h3-6H,1H2,2H3/b9-6+.
What are the key properties of (4E)-2-prop-1-en-2-yl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one?
(4E)-2-prop-1-en-2-yl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one has a molecular weight of 219.26 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-prop-1-en-2-yl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one is sourced from PubChem (CID 7304049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).