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

C10H12N2OS — CID 174483857

IUPAC3-[2-(1,3-thiazol-2-yl)butan-2-yl]-1,2-oxazole
SMILESCCC(C)(c1ccon1)c1nccs1
InChIInChI=1S/C10H12N2OS/c1-3-10(2,8-4-6-13-12-8)9-11-5-7-14-9/h4-7H,3H2,1-2H3
InChIKeyANEXNKPXCXVMTQ-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.85
Rot. Bonds3

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

3-[2-(1,3-thiazol-2-yl)butan-2-yl]-1,2-oxazole (PubChem CID 174483857) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 3-[2-(1,3-thiazol-2-yl)butan-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[2-(1,3-thiazol-2-yl)butan-2-yl]-1,2-oxazole
PubChem CID174483857
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name3-[2-(1,3-thiazol-2-yl)butan-2-yl]-1,2-oxazole
SMILESCCC(C)(c1ccon1)c1nccs1
InChIInChI=1S/C10H12N2OS/c1-3-10(2,8-4-6-13-12-8)9-11-5-7-14-9/h4-7H,3H2,1-2H3
InChIKeyANEXNKPXCXVMTQ-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
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-2-yl)butan-2-yl]-1,2-oxazole?
The IUPAC name of 3-[2-(1,3-thiazol-2-yl)butan-2-yl]-1,2-oxazole (CID 174483857) is 3-[2-(1,3-thiazol-2-yl)butan-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-[2-(1,3-thiazol-2-yl)butan-2-yl]-1,2-oxazole?
The canonical SMILES for 3-[2-(1,3-thiazol-2-yl)butan-2-yl]-1,2-oxazole is CCC(C)(c1ccon1)c1nccs1.
What is the InChIKey of 3-[2-(1,3-thiazol-2-yl)butan-2-yl]-1,2-oxazole?
The InChIKey is ANEXNKPXCXVMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-3-10(2,8-4-6-13-12-8)9-11-5-7-14-9/h4-7H,3H2,1-2H3.
What are the key properties of 3-[2-(1,3-thiazol-2-yl)butan-2-yl]-1,2-oxazole?
3-[2-(1,3-thiazol-2-yl)butan-2-yl]-1,2-oxazole has a molecular weight of 208.29 g/mol, XLogP of 2.85, 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-2-yl)butan-2-yl]-1,2-oxazole is sourced from PubChem (CID 174483857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).