4-(azetidin-3-ylmethyl)-2-ethyl-5-methyl-1,3-oxazole

C10H16N2O — CID 105438841

IUPAC4-(azetidin-3-ylmethyl)-2-ethyl-5-methyl-1,3-oxazole
SMILESCCc1nc(CC2CNC2)c(C)o1
InChIInChI=1S/C10H16N2O/c1-3-10-12-9(7(2)13-10)4-8-5-11-6-8/h8,11H,3-6H2,1-2H3
InChIKeyALZQIMITGLZACZ-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.31
Rot. Bonds3

About 4-(azetidin-3-ylmethyl)-2-ethyl-5-methyl-1,3-oxazole

4-(azetidin-3-ylmethyl)-2-ethyl-5-methyl-1,3-oxazole (PubChem CID 105438841) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-(azetidin-3-ylmethyl)-2-ethyl-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-(azetidin-3-ylmethyl)-2-ethyl-5-methyl-1,3-oxazole
PubChem CID105438841
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-(azetidin-3-ylmethyl)-2-ethyl-5-methyl-1,3-oxazole
SMILESCCc1nc(CC2CNC2)c(C)o1
InChIInChI=1S/C10H16N2O/c1-3-10-12-9(7(2)13-10)4-8-5-11-6-8/h8,11H,3-6H2,1-2H3
InChIKeyALZQIMITGLZACZ-UHFFFAOYSA-N
XLogP1.31
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-ylmethyl)-2-ethyl-5-methyl-1,3-oxazole?
The IUPAC name of 4-(azetidin-3-ylmethyl)-2-ethyl-5-methyl-1,3-oxazole (CID 105438841) is 4-(azetidin-3-ylmethyl)-2-ethyl-5-methyl-1,3-oxazole.
What is the SMILES notation for 4-(azetidin-3-ylmethyl)-2-ethyl-5-methyl-1,3-oxazole?
The canonical SMILES for 4-(azetidin-3-ylmethyl)-2-ethyl-5-methyl-1,3-oxazole is CCc1nc(CC2CNC2)c(C)o1.
What is the InChIKey of 4-(azetidin-3-ylmethyl)-2-ethyl-5-methyl-1,3-oxazole?
The InChIKey is ALZQIMITGLZACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-10-12-9(7(2)13-10)4-8-5-11-6-8/h8,11H,3-6H2,1-2H3.
What are the key properties of 4-(azetidin-3-ylmethyl)-2-ethyl-5-methyl-1,3-oxazole?
4-(azetidin-3-ylmethyl)-2-ethyl-5-methyl-1,3-oxazole has a molecular weight of 180.25 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-ylmethyl)-2-ethyl-5-methyl-1,3-oxazole is sourced from PubChem (CID 105438841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).