(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone

C16H16F3N3O2 — CID 170512085

IUPAC(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCC(C)c1nc2c(o1)CCN(C(=O)c1cccnc1C(F)(F)F)C2
InChIInChI=1S/C16H16F3N3O2/c1-9(2)14-21-11-8-22(7-5-12(11)24-14)15(23)10-4-3-6-20-13(10)16(17,18)19/h3-4,6,9H,5,7-8H2,1-2H3
InChIKeyCBZOLYAAQAGQFI-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.41
Rot. Bonds2

About (2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone

(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 170512085) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is (2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID170512085
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCC(C)c1nc2c(o1)CCN(C(=O)c1cccnc1C(F)(F)F)C2
InChIInChI=1S/C16H16F3N3O2/c1-9(2)14-21-11-8-22(7-5-12(11)24-14)15(23)10-4-3-6-20-13(10)16(17,18)19/h3-4,6,9H,5,7-8H2,1-2H3
InChIKeyCBZOLYAAQAGQFI-UHFFFAOYSA-N
XLogP3.41
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of (2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone (CID 170512085) is (2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for (2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for (2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone is CC(C)c1nc2c(o1)CCN(C(=O)c1cccnc1C(F)(F)F)C2.
What is the InChIKey of (2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is CBZOLYAAQAGQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-9(2)14-21-11-8-22(7-5-12(11)24-14)15(23)10-4-3-6-20-13(10)16(17,18)19/h3-4,6,9H,5,7-8H2,1-2H3.
What are the key properties of (2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone?
(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 339.32 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 170512085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).