4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one

C8H5NO2S — CID 175714790

IUPAC4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one
SMILESO=C1OC=NC1=Cc1cccs1
InChIInChI=1S/C8H5NO2S/c10-8-7(9-5-11-8)4-6-2-1-3-12-6/h1-5H
InChIKeySCPIOPXLHBNKFU-UHFFFAOYSA-N
MW179.20 g/mol
LogP1.67
Rot. Bonds1

About 4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one

4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one (PubChem CID 175714790) has the molecular formula C8H5NO2S and a molecular weight of 179.20 g/mol. Its IUPAC name is 4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one
PubChem CID175714790
Molecular FormulaC8H5NO2S
Molecular Weight179.20 g/mol
Exact Mass179.00
IUPAC Name4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one
SMILESO=C1OC=NC1=Cc1cccs1
InChIInChI=1S/C8H5NO2S/c10-8-7(9-5-11-8)4-6-2-1-3-12-6/h1-5H
InChIKeySCPIOPXLHBNKFU-UHFFFAOYSA-N
XLogP1.67
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 51.67
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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Related Compounds

(4Z)-2-Methyl-4-(2-thienylmethylene)-1,3-oxazol-5(4H)-one
CID 2049771
2-Methyl-4-[(3-methylthiophen-2-yl)methylidene]-1,3-oxazol-5-one
CID 2747178
(4Z)-2-methyl-4-[(3-methylthiophen-2-yl)methylidene]-1,3-oxazol-5-one
CID 5704484
(4E)-2-methyl-4-(thiophen-2-ylmethylidene)-4,5-dihydro-1,3-oxazol-5-one
CID 1550267
ethyl (Z)-2-azido-3-thiophen-2-ylprop-2-enoate
CID 11615506
methyl (Z)-2-azido-3-thiophen-2-ylprop-2-enoate
CID 102087707
methyl (2Z,4E)-2-azido-5-thiophen-2-ylpenta-2,4-dienoate
CID 12492162
4-[5-(Acetoxymethyl)-2-thenylidene)-2-oxazoline-5-one
CID 129804791
(4Z)-2-tert-butyl-4-[(5-methylthiophen-2-yl)methylidene]-1,3-oxazol-5-one
CID 17464901
(4E)-2-prop-1-en-2-yl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one
CID 7304049
methyl (Z)-2-amino-3-thiophen-2-ylprop-2-enoate
CID 133672831
2-Methyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one
CID 377819

Frequently Asked Questions

What is the IUPAC name of 4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one?
The IUPAC name of 4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one (CID 175714790) is 4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one.
What is the SMILES notation for 4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one?
The canonical SMILES for 4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one is O=C1OC=NC1=Cc1cccs1.
What is the InChIKey of 4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one?
The InChIKey is SCPIOPXLHBNKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO2S/c10-8-7(9-5-11-8)4-6-2-1-3-12-6/h1-5H.
What are the key properties of 4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one?
4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one has a molecular weight of 179.20 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one is sourced from PubChem (CID 175714790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).