2-(azetidin-3-yl)-4-methyl-5-propan-2-yl-1,3-oxazole

C10H16N2O — CID 105438847

IUPAC2-(azetidin-3-yl)-4-methyl-5-propan-2-yl-1,3-oxazole
SMILESCc1nc(C2CNC2)oc1C(C)C
InChIInChI=1S/C10H16N2O/c1-6(2)9-7(3)12-10(13-9)8-4-11-5-8/h6,8,11H,4-5H2,1-3H3
InChIKeyICMGAQBVJMZHCT-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.79
Rot. Bonds2

About 2-(azetidin-3-yl)-4-methyl-5-propan-2-yl-1,3-oxazole

2-(azetidin-3-yl)-4-methyl-5-propan-2-yl-1,3-oxazole (PubChem CID 105438847) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-4-methyl-5-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-(azetidin-3-yl)-4-methyl-5-propan-2-yl-1,3-oxazole
PubChem CID105438847
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-(azetidin-3-yl)-4-methyl-5-propan-2-yl-1,3-oxazole
SMILESCc1nc(C2CNC2)oc1C(C)C
InChIInChI=1S/C10H16N2O/c1-6(2)9-7(3)12-10(13-9)8-4-11-5-8/h6,8,11H,4-5H2,1-3H3
InChIKeyICMGAQBVJMZHCT-UHFFFAOYSA-N
XLogP1.79
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-4-methyl-5-propan-2-yl-1,3-oxazole?
The IUPAC name of 2-(azetidin-3-yl)-4-methyl-5-propan-2-yl-1,3-oxazole (CID 105438847) is 2-(azetidin-3-yl)-4-methyl-5-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 2-(azetidin-3-yl)-4-methyl-5-propan-2-yl-1,3-oxazole?
The canonical SMILES for 2-(azetidin-3-yl)-4-methyl-5-propan-2-yl-1,3-oxazole is Cc1nc(C2CNC2)oc1C(C)C.
What is the InChIKey of 2-(azetidin-3-yl)-4-methyl-5-propan-2-yl-1,3-oxazole?
The InChIKey is ICMGAQBVJMZHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-6(2)9-7(3)12-10(13-9)8-4-11-5-8/h6,8,11H,4-5H2,1-3H3.
What are the key properties of 2-(azetidin-3-yl)-4-methyl-5-propan-2-yl-1,3-oxazole?
2-(azetidin-3-yl)-4-methyl-5-propan-2-yl-1,3-oxazole has a molecular weight of 180.25 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-4-methyl-5-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 105438847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).