2-[[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-one

C16H17F3N4O2 — CID 172891185

IUPAC2-[[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-one
SMILESO=c1ccc(C(F)(F)F)nn1CC1CN(Cc2cc(C3CC3)on2)C1
InChIInChI=1S/C16H17F3N4O2/c17-16(18,19)14-3-4-15(24)23(20-14)8-10-6-22(7-10)9-12-5-13(25-21-12)11-1-2-11/h3-5,10-11H,1-2,6-9H2
InChIKeyVHKYADRFYFHUNC-UHFFFAOYSA-N
MW354.33 g/mol
LogP2.26
Rot. Bonds5

About 2-[[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-one

2-[[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-one (PubChem CID 172891185) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is 2-[[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-one
PubChem CID172891185
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC Name2-[[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-one
SMILESO=c1ccc(C(F)(F)F)nn1CC1CN(Cc2cc(C3CC3)on2)C1
InChIInChI=1S/C16H17F3N4O2/c17-16(18,19)14-3-4-15(24)23(20-14)8-10-6-22(7-10)9-12-5-13(25-21-12)11-1-2-11/h3-5,10-11H,1-2,6-9H2
InChIKeyVHKYADRFYFHUNC-UHFFFAOYSA-N
XLogP2.26
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 2-[[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-one (CID 172891185) is 2-[[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 2-[[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 2-[[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-one is O=c1ccc(C(F)(F)F)nn1CC1CN(Cc2cc(C3CC3)on2)C1.
What is the InChIKey of 2-[[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-one?
The InChIKey is VHKYADRFYFHUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c17-16(18,19)14-3-4-15(24)23(20-14)8-10-6-22(7-10)9-12-5-13(25-21-12)11-1-2-11/h3-5,10-11H,1-2,6-9H2.
What are the key properties of 2-[[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-one?
2-[[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-one has a molecular weight of 354.33 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 172891185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).