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

C10H13F3N2O — CID 105493982

IUPAC2-(azetidin-3-yl)-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole
SMILESCC(C)c1nc(C2CNC2)oc1C(F)(F)F
InChIInChI=1S/C10H13F3N2O/c1-5(2)7-8(10(11,12)13)16-9(15-7)6-3-14-4-6/h5-6,14H,3-4H2,1-2H3
InChIKeySBSXLALGUQRJIA-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.50
Rot. Bonds2

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

2-(azetidin-3-yl)-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole (PubChem CID 105493982) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(azetidin-3-yl)-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole
PubChem CID105493982
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name2-(azetidin-3-yl)-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole
SMILESCC(C)c1nc(C2CNC2)oc1C(F)(F)F
InChIInChI=1S/C10H13F3N2O/c1-5(2)7-8(10(11,12)13)16-9(15-7)6-3-14-4-6/h5-6,14H,3-4H2,1-2H3
InChIKeySBSXLALGUQRJIA-UHFFFAOYSA-N
XLogP2.50
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.50
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-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 2-(azetidin-3-yl)-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole (CID 105493982) is 2-(azetidin-3-yl)-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 2-(azetidin-3-yl)-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 2-(azetidin-3-yl)-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole is CC(C)c1nc(C2CNC2)oc1C(F)(F)F.
What is the InChIKey of 2-(azetidin-3-yl)-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole?
The InChIKey is SBSXLALGUQRJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-5(2)7-8(10(11,12)13)16-9(15-7)6-3-14-4-6/h5-6,14H,3-4H2,1-2H3.
What are the key properties of 2-(azetidin-3-yl)-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole?
2-(azetidin-3-yl)-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole has a molecular weight of 234.22 g/mol, XLogP of 2.50, 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-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 105493982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).