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

C8H8N2OS — CID 174562005

IUPAC3-[2-(1,3-thiazol-5-yl)ethyl]-1,2-oxazole
SMILESc1cc(CCc2cncs2)no1
InChIInChI=1S/C8H8N2OS/c1(7-3-4-11-10-7)2-8-5-9-6-12-8/h3-6H,1-2H2
InChIKeyMWOZTMPCXHHKGK-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.92
Rot. Bonds3

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

3-[2-(1,3-thiazol-5-yl)ethyl]-1,2-oxazole (PubChem CID 174562005) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is 3-[2-(1,3-thiazol-5-yl)ethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[2-(1,3-thiazol-5-yl)ethyl]-1,2-oxazole
PubChem CID174562005
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name3-[2-(1,3-thiazol-5-yl)ethyl]-1,2-oxazole
SMILESc1cc(CCc2cncs2)no1
InChIInChI=1S/C8H8N2OS/c1(7-3-4-11-10-7)2-8-5-9-6-12-8/h3-6H,1-2H2
InChIKeyMWOZTMPCXHHKGK-UHFFFAOYSA-N
XLogP1.92
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,3-thiazol-5-yl)ethyl]-1,2-oxazole?
The IUPAC name of 3-[2-(1,3-thiazol-5-yl)ethyl]-1,2-oxazole (CID 174562005) is 3-[2-(1,3-thiazol-5-yl)ethyl]-1,2-oxazole.
What is the SMILES notation for 3-[2-(1,3-thiazol-5-yl)ethyl]-1,2-oxazole?
The canonical SMILES for 3-[2-(1,3-thiazol-5-yl)ethyl]-1,2-oxazole is c1cc(CCc2cncs2)no1.
What is the InChIKey of 3-[2-(1,3-thiazol-5-yl)ethyl]-1,2-oxazole?
The InChIKey is MWOZTMPCXHHKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c1(7-3-4-11-10-7)2-8-5-9-6-12-8/h3-6H,1-2H2.
What are the key properties of 3-[2-(1,3-thiazol-5-yl)ethyl]-1,2-oxazole?
3-[2-(1,3-thiazol-5-yl)ethyl]-1,2-oxazole has a molecular weight of 180.23 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,3-thiazol-5-yl)ethyl]-1,2-oxazole is sourced from PubChem (CID 174562005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).