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

C11H14N2OS — CID 138626517

IUPAC5-[1-(5-ethyl-1,3-thiazol-2-yl)propan-2-yl]-1,2-oxazole
SMILESCCc1cnc(CC(C)c2ccno2)s1
InChIInChI=1S/C11H14N2OS/c1-3-9-7-12-11(15-9)6-8(2)10-4-5-13-14-10/h4-5,7-8H,3,6H2,1-2H3
InChIKeyGBFFRFBUAVJZSR-UHFFFAOYSA-N
MW222.31 g/mol
LogP3.04
Rot. Bonds4

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

5-[1-(5-ethyl-1,3-thiazol-2-yl)propan-2-yl]-1,2-oxazole (PubChem CID 138626517) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 5-[1-(5-ethyl-1,3-thiazol-2-yl)propan-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-[1-(5-ethyl-1,3-thiazol-2-yl)propan-2-yl]-1,2-oxazole
PubChem CID138626517
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name5-[1-(5-ethyl-1,3-thiazol-2-yl)propan-2-yl]-1,2-oxazole
SMILESCCc1cnc(CC(C)c2ccno2)s1
InChIInChI=1S/C11H14N2OS/c1-3-9-7-12-11(15-9)6-8(2)10-4-5-13-14-10/h4-5,7-8H,3,6H2,1-2H3
InChIKeyGBFFRFBUAVJZSR-UHFFFAOYSA-N
XLogP3.04
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-ethyl-1,3-thiazol-2-yl)propan-2-yl]-1,2-oxazole?
The IUPAC name of 5-[1-(5-ethyl-1,3-thiazol-2-yl)propan-2-yl]-1,2-oxazole (CID 138626517) is 5-[1-(5-ethyl-1,3-thiazol-2-yl)propan-2-yl]-1,2-oxazole.
What is the SMILES notation for 5-[1-(5-ethyl-1,3-thiazol-2-yl)propan-2-yl]-1,2-oxazole?
The canonical SMILES for 5-[1-(5-ethyl-1,3-thiazol-2-yl)propan-2-yl]-1,2-oxazole is CCc1cnc(CC(C)c2ccno2)s1.
What is the InChIKey of 5-[1-(5-ethyl-1,3-thiazol-2-yl)propan-2-yl]-1,2-oxazole?
The InChIKey is GBFFRFBUAVJZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-3-9-7-12-11(15-9)6-8(2)10-4-5-13-14-10/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of 5-[1-(5-ethyl-1,3-thiazol-2-yl)propan-2-yl]-1,2-oxazole?
5-[1-(5-ethyl-1,3-thiazol-2-yl)propan-2-yl]-1,2-oxazole has a molecular weight of 222.31 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5-ethyl-1,3-thiazol-2-yl)propan-2-yl]-1,2-oxazole is sourced from PubChem (CID 138626517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).