4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole

C11H14N2O2 — CID 609787

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1Cc1c(C)noc1C
InChIInChI=1S/C11H14N2O2/c1-6-10(8(3)14-12-6)5-11-7(2)13-15-9(11)4/h5H2,1-4H3
InChIKeyAYBJTGVTOXTFFP-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.49
Rot. Bonds2

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 609787) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID609787
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1Cc1c(C)noc1C
InChIInChI=1S/C11H14N2O2/c1-6-10(8(3)14-12-6)5-11-7(2)13-15-9(11)4/h5H2,1-4H3
InChIKeyAYBJTGVTOXTFFP-UHFFFAOYSA-N
XLogP2.49
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole (CID 609787) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1Cc1c(C)noc1C.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is AYBJTGVTOXTFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-6-10(8(3)14-12-6)5-11-7(2)13-15-9(11)4/h5H2,1-4H3.
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 206.24 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 609787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).