3-[2-methyl-3-(1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazole

C11H14N2O2 — CID 154970640

IUPAC3-[2-methyl-3-(1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazole
SMILESCC(c1ccno1)C(C)(C)c1ccon1
InChIInChI=1S/C11H14N2O2/c1-8(9-4-6-12-15-9)11(2,3)10-5-7-14-13-10/h4-8H,1-3H3
InChIKeyCXHKXYUDBYMOSD-UHFFFAOYSA-N
MW206.25 g/mol
LogP2.74
Rot. Bonds3

About 3-[2-methyl-3-(1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazole

3-[2-methyl-3-(1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazole (PubChem CID 154970640) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-[2-methyl-3-(1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[2-methyl-3-(1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazole
PubChem CID154970640
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name3-[2-methyl-3-(1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazole
SMILESCC(c1ccno1)C(C)(C)c1ccon1
InChIInChI=1S/C11H14N2O2/c1-8(9-4-6-12-15-9)11(2,3)10-5-7-14-13-10/h4-8H,1-3H3
InChIKeyCXHKXYUDBYMOSD-UHFFFAOYSA-N
XLogP2.74
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-3-(1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazole?
The IUPAC name of 3-[2-methyl-3-(1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazole (CID 154970640) is 3-[2-methyl-3-(1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-[2-methyl-3-(1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazole?
The canonical SMILES for 3-[2-methyl-3-(1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazole is CC(c1ccno1)C(C)(C)c1ccon1.
What is the InChIKey of 3-[2-methyl-3-(1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazole?
The InChIKey is CXHKXYUDBYMOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8(9-4-6-12-15-9)11(2,3)10-5-7-14-13-10/h4-8H,1-3H3.
What are the key properties of 3-[2-methyl-3-(1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazole?
3-[2-methyl-3-(1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazole has a molecular weight of 206.25 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-3-(1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazole is sourced from PubChem (CID 154970640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).