3-methyl-5-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole

C10H12N2OS — CID 167158744

IUPAC3-methyl-5-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole
SMILESCc1cc(CCc2nc(C)cs2)on1
InChIInChI=1S/C10H12N2OS/c1-7-5-9(13-12-7)3-4-10-11-8(2)6-14-10/h5-6H,3-4H2,1-2H3
InChIKeyZPOCQVWQKNDQAE-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.53
Rot. Bonds3

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

3-methyl-5-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole (PubChem CID 167158744) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 3-methyl-5-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole
PubChem CID167158744
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name3-methyl-5-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole
SMILESCc1cc(CCc2nc(C)cs2)on1
InChIInChI=1S/C10H12N2OS/c1-7-5-9(13-12-7)3-4-10-11-8(2)6-14-10/h5-6H,3-4H2,1-2H3
InChIKeyZPOCQVWQKNDQAE-UHFFFAOYSA-N
XLogP2.53
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole (CID 167158744) is 3-methyl-5-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole is Cc1cc(CCc2nc(C)cs2)on1.
What is the InChIKey of 3-methyl-5-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole?
The InChIKey is ZPOCQVWQKNDQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-7-5-9(13-12-7)3-4-10-11-8(2)6-14-10/h5-6H,3-4H2,1-2H3.
What are the key properties of 3-methyl-5-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole?
3-methyl-5-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole has a molecular weight of 208.29 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole is sourced from PubChem (CID 167158744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).