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

C13H18N2OS — CID 170381814

IUPAC3-ethyl-5-[3-(2-methyl-1,3-thiazol-5-yl)butyl]-1,2-oxazole
SMILESCCc1cc(CCC(C)c2cnc(C)s2)on1
InChIInChI=1S/C13H18N2OS/c1-4-11-7-12(16-15-11)6-5-9(2)13-8-14-10(3)17-13/h7-9H,4-6H2,1-3H3
InChIKeyMITGOHBAZDZITM-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.74
Rot. Bonds5

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

3-ethyl-5-[3-(2-methyl-1,3-thiazol-5-yl)butyl]-1,2-oxazole (PubChem CID 170381814) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 3-ethyl-5-[3-(2-methyl-1,3-thiazol-5-yl)butyl]-1,2-oxazole.

Molecular Properties

Compound Name3-ethyl-5-[3-(2-methyl-1,3-thiazol-5-yl)butyl]-1,2-oxazole
PubChem CID170381814
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name3-ethyl-5-[3-(2-methyl-1,3-thiazol-5-yl)butyl]-1,2-oxazole
SMILESCCc1cc(CCC(C)c2cnc(C)s2)on1
InChIInChI=1S/C13H18N2OS/c1-4-11-7-12(16-15-11)6-5-9(2)13-8-14-10(3)17-13/h7-9H,4-6H2,1-3H3
InChIKeyMITGOHBAZDZITM-UHFFFAOYSA-N
XLogP3.74
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[3-(2-methyl-1,3-thiazol-5-yl)butyl]-1,2-oxazole?
The IUPAC name of 3-ethyl-5-[3-(2-methyl-1,3-thiazol-5-yl)butyl]-1,2-oxazole (CID 170381814) is 3-ethyl-5-[3-(2-methyl-1,3-thiazol-5-yl)butyl]-1,2-oxazole.
What is the SMILES notation for 3-ethyl-5-[3-(2-methyl-1,3-thiazol-5-yl)butyl]-1,2-oxazole?
The canonical SMILES for 3-ethyl-5-[3-(2-methyl-1,3-thiazol-5-yl)butyl]-1,2-oxazole is CCc1cc(CCC(C)c2cnc(C)s2)on1.
What is the InChIKey of 3-ethyl-5-[3-(2-methyl-1,3-thiazol-5-yl)butyl]-1,2-oxazole?
The InChIKey is MITGOHBAZDZITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-4-11-7-12(16-15-11)6-5-9(2)13-8-14-10(3)17-13/h7-9H,4-6H2,1-3H3.
What are the key properties of 3-ethyl-5-[3-(2-methyl-1,3-thiazol-5-yl)butyl]-1,2-oxazole?
3-ethyl-5-[3-(2-methyl-1,3-thiazol-5-yl)butyl]-1,2-oxazole has a molecular weight of 250.37 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[3-(2-methyl-1,3-thiazol-5-yl)butyl]-1,2-oxazole is sourced from PubChem (CID 170381814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).