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

C10H13F3N2O — CID 105493983

IUPAC2-(azetidin-3-ylmethyl)-4-ethyl-5-(trifluoromethyl)-1,3-oxazole
SMILESCCc1nc(CC2CNC2)oc1C(F)(F)F
InChIInChI=1S/C10H13F3N2O/c1-2-7-9(10(11,12)13)16-8(15-7)3-6-4-14-5-6/h6,14H,2-5H2,1H3
InChIKeyMHYUBOZRFIWKDU-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.02
Rot. Bonds3

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

2-(azetidin-3-ylmethyl)-4-ethyl-5-(trifluoromethyl)-1,3-oxazole (PubChem CID 105493983) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethyl)-4-ethyl-5-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(azetidin-3-ylmethyl)-4-ethyl-5-(trifluoromethyl)-1,3-oxazole
PubChem CID105493983
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name2-(azetidin-3-ylmethyl)-4-ethyl-5-(trifluoromethyl)-1,3-oxazole
SMILESCCc1nc(CC2CNC2)oc1C(F)(F)F
InChIInChI=1S/C10H13F3N2O/c1-2-7-9(10(11,12)13)16-8(15-7)3-6-4-14-5-6/h6,14H,2-5H2,1H3
InChIKeyMHYUBOZRFIWKDU-UHFFFAOYSA-N
XLogP2.02
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethyl)-4-ethyl-5-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 2-(azetidin-3-ylmethyl)-4-ethyl-5-(trifluoromethyl)-1,3-oxazole (CID 105493983) is 2-(azetidin-3-ylmethyl)-4-ethyl-5-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 2-(azetidin-3-ylmethyl)-4-ethyl-5-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 2-(azetidin-3-ylmethyl)-4-ethyl-5-(trifluoromethyl)-1,3-oxazole is CCc1nc(CC2CNC2)oc1C(F)(F)F.
What is the InChIKey of 2-(azetidin-3-ylmethyl)-4-ethyl-5-(trifluoromethyl)-1,3-oxazole?
The InChIKey is MHYUBOZRFIWKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-2-7-9(10(11,12)13)16-8(15-7)3-6-4-14-5-6/h6,14H,2-5H2,1H3.
What are the key properties of 2-(azetidin-3-ylmethyl)-4-ethyl-5-(trifluoromethyl)-1,3-oxazole?
2-(azetidin-3-ylmethyl)-4-ethyl-5-(trifluoromethyl)-1,3-oxazole has a molecular weight of 234.22 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethyl)-4-ethyl-5-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 105493983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).