(4Z)-4-(1-methyl-2-pyridinylidene)-2-thiophen-2-yl-1,3-oxazol-5-one

C13H10N2O2S — CID 2383020

IUPAC(4Z)-4-(1-methyl-2-pyridinylidene)-2-thiophen-2-yl-1,3-oxazol-5-one
SMILESCN1C=CC=C/C1=C1/N=C(c2cccs2)OC1=O
InChIInChI=1S/C13H10N2O2S/c1-15-7-3-2-5-9(15)11-13(16)17-12(14-11)10-6-4-8-18-10/h2-8H,1H3/b11-9-
InChIKeyDXQZBQNOHSFVOF-LUAWRHEFSA-N
MW258.30 g/mol
LogP2.28
Rot. Bonds1

About (4Z)-4-(1-methyl-2-pyridinylidene)-2-thiophen-2-yl-1,3-oxazol-5-one

(4Z)-4-(1-methyl-2-pyridinylidene)-2-thiophen-2-yl-1,3-oxazol-5-one (PubChem CID 2383020) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is (4Z)-4-(1-methyl-2-pyridinylidene)-2-thiophen-2-yl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-(1-methyl-2-pyridinylidene)-2-thiophen-2-yl-1,3-oxazol-5-one
PubChem CID2383020
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name(4Z)-4-(1-methyl-2-pyridinylidene)-2-thiophen-2-yl-1,3-oxazol-5-one
SMILESCN1C=CC=C/C1=C1/N=C(c2cccs2)OC1=O
InChIInChI=1S/C13H10N2O2S/c1-15-7-3-2-5-9(15)11-13(16)17-12(14-11)10-6-4-8-18-10/h2-8H,1H3/b11-9-
InChIKeyDXQZBQNOHSFVOF-LUAWRHEFSA-N
XLogP2.28
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (4Z)-4-(1-methyl-2-pyridinylidene)-2-thiophen-2-yl-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-(1-methyl-2-pyridinylidene)-2-thiophen-2-yl-1,3-oxazol-5-one (CID 2383020) is (4Z)-4-(1-methyl-2-pyridinylidene)-2-thiophen-2-yl-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-(1-methyl-2-pyridinylidene)-2-thiophen-2-yl-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-(1-methyl-2-pyridinylidene)-2-thiophen-2-yl-1,3-oxazol-5-one is CN1C=CC=C/C1=C1/N=C(c2cccs2)OC1=O.
What is the InChIKey of (4Z)-4-(1-methyl-2-pyridinylidene)-2-thiophen-2-yl-1,3-oxazol-5-one?
The InChIKey is DXQZBQNOHSFVOF-LUAWRHEFSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-15-7-3-2-5-9(15)11-13(16)17-12(14-11)10-6-4-8-18-10/h2-8H,1H3/b11-9-.
What are the key properties of (4Z)-4-(1-methyl-2-pyridinylidene)-2-thiophen-2-yl-1,3-oxazol-5-one?
(4Z)-4-(1-methyl-2-pyridinylidene)-2-thiophen-2-yl-1,3-oxazol-5-one has a molecular weight of 258.30 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(1-methyl-2-pyridinylidene)-2-thiophen-2-yl-1,3-oxazol-5-one is sourced from PubChem (CID 2383020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).