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

C13H18N4O — CID 56780734

IUPAC3,5-dimethyl-4-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,2-oxazole
SMILESCc1cnn(C2CN(Cc3c(C)noc3C)C2)c1
InChIInChI=1S/C13H18N4O/c1-9-4-14-17(5-9)12-6-16(7-12)8-13-10(2)15-18-11(13)3/h4-5,12H,6-8H2,1-3H3
InChIKeyZASFSXGKLDXEPW-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.85
Rot. Bonds3

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

3,5-dimethyl-4-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,2-oxazole (PubChem CID 56780734) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 3,5-dimethyl-4-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,2-oxazole
PubChem CID56780734
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name3,5-dimethyl-4-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,2-oxazole
SMILESCc1cnn(C2CN(Cc3c(C)noc3C)C2)c1
InChIInChI=1S/C13H18N4O/c1-9-4-14-17(5-9)12-6-16(7-12)8-13-10(2)15-18-11(13)3/h4-5,12H,6-8H2,1-3H3
InChIKeyZASFSXGKLDXEPW-UHFFFAOYSA-N
XLogP1.85
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,2-oxazole (CID 56780734) is 3,5-dimethyl-4-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,2-oxazole is Cc1cnn(C2CN(Cc3c(C)noc3C)C2)c1.
What is the InChIKey of 3,5-dimethyl-4-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,2-oxazole?
The InChIKey is ZASFSXGKLDXEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9-4-14-17(5-9)12-6-16(7-12)8-13-10(2)15-18-11(13)3/h4-5,12H,6-8H2,1-3H3.
What are the key properties of 3,5-dimethyl-4-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,2-oxazole?
3,5-dimethyl-4-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,2-oxazole has a molecular weight of 246.31 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 56780734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).