3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole

C12H18N2OS — CID 177005552

IUPAC3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ccon1.CC(C)c1nccs1
InChIInChI=1S/C6H9NO.C6H9NS/c1-5(2)6-3-4-8-7-6;1-5(2)6-7-3-4-8-6/h2*3-5H,1-2H3
InChIKeyFFKJDIKWQVZXPS-UHFFFAOYSA-N
MW238.36 g/mol
LogP4.06
Rot. Bonds2

About 3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole

3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole (PubChem CID 177005552) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole
PubChem CID177005552
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ccon1.CC(C)c1nccs1
InChIInChI=1S/C6H9NO.C6H9NS/c1-5(2)6-3-4-8-7-6;1-5(2)6-7-3-4-8-6/h2*3-5H,1-2H3
InChIKeyFFKJDIKWQVZXPS-UHFFFAOYSA-N
XLogP4.06
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole?
The IUPAC name of 3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole (CID 177005552) is 3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole is CC(C)c1ccon1.CC(C)c1nccs1.
What is the InChIKey of 3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole?
The InChIKey is FFKJDIKWQVZXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C6H9NS/c1-5(2)6-3-4-8-7-6;1-5(2)6-7-3-4-8-6/h2*3-5H,1-2H3.
What are the key properties of 3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole?
3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole has a molecular weight of 238.36 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 177005552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).