6-[5-[2-(1-ethoxyethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one

C15H16N4O3S — CID 167948309

IUPAC6-[5-[2-(1-ethoxyethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one
SMILESCCOC(C)c1nc(C)c(-c2nc(-c3cccc(=O)[nH]3)no2)s1
InChIInChI=1S/C15H16N4O3S/c1-4-21-9(3)15-16-8(2)12(23-15)14-18-13(19-22-14)10-6-5-7-11(20)17-10/h5-7,9H,4H2,1-3H3,(H,17,20)
InChIKeySTMPPKOHDSAQOG-UHFFFAOYSA-N
MW332.39 g/mol
LogP2.95
Rot. Bonds5

About 6-[5-[2-(1-ethoxyethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one

6-[5-[2-(1-ethoxyethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one (PubChem CID 167948309) has the molecular formula C15H16N4O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is 6-[5-[2-(1-ethoxyethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[5-[2-(1-ethoxyethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one
PubChem CID167948309
Molecular FormulaC15H16N4O3S
Molecular Weight332.39 g/mol
Exact Mass332.09
IUPAC Name6-[5-[2-(1-ethoxyethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one
SMILESCCOC(C)c1nc(C)c(-c2nc(-c3cccc(=O)[nH]3)no2)s1
InChIInChI=1S/C15H16N4O3S/c1-4-21-9(3)15-16-8(2)12(23-15)14-18-13(19-22-14)10-6-5-7-11(20)17-10/h5-7,9H,4H2,1-3H3,(H,17,20)
InChIKeySTMPPKOHDSAQOG-UHFFFAOYSA-N
XLogP2.95
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[2-(1-ethoxyethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one?
The IUPAC name of 6-[5-[2-(1-ethoxyethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one (CID 167948309) is 6-[5-[2-(1-ethoxyethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[5-[2-(1-ethoxyethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one?
The canonical SMILES for 6-[5-[2-(1-ethoxyethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one is CCOC(C)c1nc(C)c(-c2nc(-c3cccc(=O)[nH]3)no2)s1.
What is the InChIKey of 6-[5-[2-(1-ethoxyethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one?
The InChIKey is STMPPKOHDSAQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c1-4-21-9(3)15-16-8(2)12(23-15)14-18-13(19-22-14)10-6-5-7-11(20)17-10/h5-7,9H,4H2,1-3H3,(H,17,20).
What are the key properties of 6-[5-[2-(1-ethoxyethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one?
6-[5-[2-(1-ethoxyethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one has a molecular weight of 332.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[2-(1-ethoxyethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one is sourced from PubChem (CID 167948309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).