5-ethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-2-one

C15H15N3O2S — CID 71852640

IUPAC5-ethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-2-one
SMILESCCc1sc(=O)n(Cc2nnc(C)o2)c1-c1ccccc1
InChIInChI=1S/C15H15N3O2S/c1-3-12-14(11-7-5-4-6-8-11)18(15(19)21-12)9-13-17-16-10(2)20-13/h4-8H,3,9H2,1-2H3
InChIKeyWBTVTSTZKBYATG-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.88
Rot. Bonds4

About 5-ethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-2-one

5-ethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-2-one (PubChem CID 71852640) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 5-ethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-ethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-2-one
PubChem CID71852640
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name5-ethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-2-one
SMILESCCc1sc(=O)n(Cc2nnc(C)o2)c1-c1ccccc1
InChIInChI=1S/C15H15N3O2S/c1-3-12-14(11-7-5-4-6-8-11)18(15(19)21-12)9-13-17-16-10(2)20-13/h4-8H,3,9H2,1-2H3
InChIKeyWBTVTSTZKBYATG-UHFFFAOYSA-N
XLogP2.88
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-2-one?
The IUPAC name of 5-ethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-2-one (CID 71852640) is 5-ethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-2-one.
What is the SMILES notation for 5-ethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-2-one?
The canonical SMILES for 5-ethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-2-one is CCc1sc(=O)n(Cc2nnc(C)o2)c1-c1ccccc1.
What is the InChIKey of 5-ethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-2-one?
The InChIKey is WBTVTSTZKBYATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-3-12-14(11-7-5-4-6-8-11)18(15(19)21-12)9-13-17-16-10(2)20-13/h4-8H,3,9H2,1-2H3.
What are the key properties of 5-ethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-2-one?
5-ethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-2-one has a molecular weight of 301.37 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-2-one is sourced from PubChem (CID 71852640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).