3-(4,5-diethyl-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole

C11H14N2OS — CID 123354763

IUPAC3-(4,5-diethyl-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole
SMILESCCc1nc(-c2cc(C)on2)sc1CC
InChIInChI=1S/C11H14N2OS/c1-4-8-10(5-2)15-11(12-8)9-6-7(3)14-13-9/h6H,4-5H2,1-3H3
InChIKeyNKBBUSPJYLAEQZ-UHFFFAOYSA-N
MW222.31 g/mol
LogP3.23
Rot. Bonds3

About 3-(4,5-diethyl-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole

3-(4,5-diethyl-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole (PubChem CID 123354763) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 3-(4,5-diethyl-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-(4,5-diethyl-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole
PubChem CID123354763
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name3-(4,5-diethyl-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole
SMILESCCc1nc(-c2cc(C)on2)sc1CC
InChIInChI=1S/C11H14N2OS/c1-4-8-10(5-2)15-11(12-8)9-6-7(3)14-13-9/h6H,4-5H2,1-3H3
InChIKeyNKBBUSPJYLAEQZ-UHFFFAOYSA-N
XLogP3.23
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-diethyl-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole?
The IUPAC name of 3-(4,5-diethyl-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole (CID 123354763) is 3-(4,5-diethyl-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-(4,5-diethyl-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole?
The canonical SMILES for 3-(4,5-diethyl-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole is CCc1nc(-c2cc(C)on2)sc1CC.
What is the InChIKey of 3-(4,5-diethyl-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole?
The InChIKey is NKBBUSPJYLAEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-4-8-10(5-2)15-11(12-8)9-6-7(3)14-13-9/h6H,4-5H2,1-3H3.
What are the key properties of 3-(4,5-diethyl-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole?
3-(4,5-diethyl-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole has a molecular weight of 222.31 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-diethyl-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole is sourced from PubChem (CID 123354763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).