spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-yl-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone

C14H13F3N4O2 — CID 167962353

IUPACspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-yl-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone
SMILESO=C(c1conc1C(F)(F)F)N1CCc2[nH]cnc2C12CCC2
InChIInChI=1S/C14H13F3N4O2/c15-14(16,17)10-8(6-23-20-10)12(22)21-5-2-9-11(19-7-18-9)13(21)3-1-4-13/h6-7H,1-5H2,(H,18,19)
InChIKeyKWPBCMVTVFGJKC-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.49
Rot. Bonds1

About spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-yl-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone

spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-yl-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone (PubChem CID 167962353) has the molecular formula C14H13F3N4O2 and a molecular weight of 326.28 g/mol. Its IUPAC name is spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-yl-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone.

Molecular Properties

Compound Namespiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-yl-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone
PubChem CID167962353
Molecular FormulaC14H13F3N4O2
Molecular Weight326.28 g/mol
Exact Mass326.10
IUPAC Namespiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-yl-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone
SMILESO=C(c1conc1C(F)(F)F)N1CCc2[nH]cnc2C12CCC2
InChIInChI=1S/C14H13F3N4O2/c15-14(16,17)10-8(6-23-20-10)12(22)21-5-2-9-11(19-7-18-9)13(21)3-1-4-13/h6-7H,1-5H2,(H,18,19)
InChIKeyKWPBCMVTVFGJKC-UHFFFAOYSA-N
XLogP2.49
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-yl-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone?
The IUPAC name of spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-yl-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone (CID 167962353) is spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-yl-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone.
What is the SMILES notation for spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-yl-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone?
The canonical SMILES for spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-yl-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone is O=C(c1conc1C(F)(F)F)N1CCc2[nH]cnc2C12CCC2.
What is the InChIKey of spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-yl-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone?
The InChIKey is KWPBCMVTVFGJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O2/c15-14(16,17)10-8(6-23-20-10)12(22)21-5-2-9-11(19-7-18-9)13(21)3-1-4-13/h6-7H,1-5H2,(H,18,19).
What are the key properties of spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-yl-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone?
spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-yl-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone has a molecular weight of 326.28 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-yl-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone is sourced from PubChem (CID 167962353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).