(2-oxooxolan-3-yl) 3-(1,3-thiazol-4-yl)prop-2-enoate

C10H9NO4S — CID 91942854

IUPAC(2-oxooxolan-3-yl) 3-(1,3-thiazol-4-yl)prop-2-enoate
SMILESO=C(C=Cc1cscn1)OC1CCOC1=O
InChIInChI=1S/C10H9NO4S/c12-9(2-1-7-5-16-6-11-7)15-8-3-4-14-10(8)13/h1-2,5-6,8H,3-4H2
InChIKeyJBRSXLXMYXATPO-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.01
Rot. Bonds3

About (2-oxooxolan-3-yl) 3-(1,3-thiazol-4-yl)prop-2-enoate

(2-oxooxolan-3-yl) 3-(1,3-thiazol-4-yl)prop-2-enoate (PubChem CID 91942854) has the molecular formula C10H9NO4S and a molecular weight of 239.25 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 3-(1,3-thiazol-4-yl)prop-2-enoate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 3-(1,3-thiazol-4-yl)prop-2-enoate
PubChem CID91942854
Molecular FormulaC10H9NO4S
Molecular Weight239.25 g/mol
Exact Mass239.03
IUPAC Name(2-oxooxolan-3-yl) 3-(1,3-thiazol-4-yl)prop-2-enoate
SMILESO=C(C=Cc1cscn1)OC1CCOC1=O
InChIInChI=1S/C10H9NO4S/c12-9(2-1-7-5-16-6-11-7)15-8-3-4-14-10(8)13/h1-2,5-6,8H,3-4H2
InChIKeyJBRSXLXMYXATPO-UHFFFAOYSA-N
XLogP1.01
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 (2-oxooxolan-3-yl) 3-(1,3-thiazol-4-yl)prop-2-enoate?
The IUPAC name of (2-oxooxolan-3-yl) 3-(1,3-thiazol-4-yl)prop-2-enoate (CID 91942854) is (2-oxooxolan-3-yl) 3-(1,3-thiazol-4-yl)prop-2-enoate.
What is the SMILES notation for (2-oxooxolan-3-yl) 3-(1,3-thiazol-4-yl)prop-2-enoate?
The canonical SMILES for (2-oxooxolan-3-yl) 3-(1,3-thiazol-4-yl)prop-2-enoate is O=C(C=Cc1cscn1)OC1CCOC1=O.
What is the InChIKey of (2-oxooxolan-3-yl) 3-(1,3-thiazol-4-yl)prop-2-enoate?
The InChIKey is JBRSXLXMYXATPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4S/c12-9(2-1-7-5-16-6-11-7)15-8-3-4-14-10(8)13/h1-2,5-6,8H,3-4H2.
What are the key properties of (2-oxooxolan-3-yl) 3-(1,3-thiazol-4-yl)prop-2-enoate?
(2-oxooxolan-3-yl) 3-(1,3-thiazol-4-yl)prop-2-enoate has a molecular weight of 239.25 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 3-(1,3-thiazol-4-yl)prop-2-enoate is sourced from PubChem (CID 91942854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).