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

C18H14F3N3O — CID 58076800

IUPAC2-pyridin-2-yl-5-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
SMILESFC(F)(F)c1ccccc1N1CCc2oc(-c3ccccn3)nc2C1
InChIInChI=1S/C18H14F3N3O/c19-18(20,21)12-5-1-2-7-15(12)24-10-8-16-14(11-24)23-17(25-16)13-6-3-4-9-22-13/h1-7,9H,8,10-11H2
InChIKeyDRNPAJCDAIVIJN-UHFFFAOYSA-N
MW345.32 g/mol
LogP4.32
Rot. Bonds2

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

2-pyridin-2-yl-5-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine (PubChem CID 58076800) has the molecular formula C18H14F3N3O and a molecular weight of 345.32 g/mol. Its IUPAC name is 2-pyridin-2-yl-5-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2-pyridin-2-yl-5-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
PubChem CID58076800
Molecular FormulaC18H14F3N3O
Molecular Weight345.32 g/mol
Exact Mass345.11
IUPAC Name2-pyridin-2-yl-5-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
SMILESFC(F)(F)c1ccccc1N1CCc2oc(-c3ccccn3)nc2C1
InChIInChI=1S/C18H14F3N3O/c19-18(20,21)12-5-1-2-7-15(12)24-10-8-16-14(11-24)23-17(25-16)13-6-3-4-9-22-13/h1-7,9H,8,10-11H2
InChIKeyDRNPAJCDAIVIJN-UHFFFAOYSA-N
XLogP4.32
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-pyridin-2-yl-5-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine with MolForge

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Related Compounds

5-(2,3-dichlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 58077273
5-(5-fluoro-2-methylphenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 58076728
5-(3,5-difluorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 46932860
2-methyl-6-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)benzonitrile
CID 58076999
5-(4-chlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 58077055
5-(3,5-dichlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 58076920
2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-d]azepine
CID 58077170
3-(2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[5,4-c]azepin-5-yl)-5-(trifluoromethyl)benzonitrile
CID 66706248
2-(2-pyridin-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)pyridine-3-carbonitrile
CID 66706210
2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524548
6-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole
CID 58076836
2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole-5-carboxylic acid
CID 82294059

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-5-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The IUPAC name of 2-pyridin-2-yl-5-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine (CID 58076800) is 2-pyridin-2-yl-5-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 2-pyridin-2-yl-5-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The canonical SMILES for 2-pyridin-2-yl-5-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine is FC(F)(F)c1ccccc1N1CCc2oc(-c3ccccn3)nc2C1.
What is the InChIKey of 2-pyridin-2-yl-5-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The InChIKey is DRNPAJCDAIVIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O/c19-18(20,21)12-5-1-2-7-15(12)24-10-8-16-14(11-24)23-17(25-16)13-6-3-4-9-22-13/h1-7,9H,8,10-11H2.
What are the key properties of 2-pyridin-2-yl-5-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
2-pyridin-2-yl-5-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine has a molecular weight of 345.32 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-5-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 58076800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).