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

C17H13F2N3O — CID 46932860

IUPAC5-(3,5-difluorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
SMILESFc1cc(F)cc(N2CCc3oc(-c4ccccn4)nc3C2)c1
InChIInChI=1S/C17H13F2N3O/c18-11-7-12(19)9-13(8-11)22-6-4-16-15(10-22)21-17(23-16)14-3-1-2-5-20-14/h1-3,5,7-9H,4,6,10H2
InChIKeyPTNQFTBJQWUYQT-UHFFFAOYSA-N
MW313.31 g/mol
LogP3.58
Rot. Bonds2

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

5-(3,5-difluorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine (PubChem CID 46932860) has the molecular formula C17H13F2N3O and a molecular weight of 313.31 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
PubChem CID46932860
Molecular FormulaC17H13F2N3O
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Name5-(3,5-difluorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
SMILESFc1cc(F)cc(N2CCc3oc(-c4ccccn4)nc3C2)c1
InChIInChI=1S/C17H13F2N3O/c18-11-7-12(19)9-13(8-11)22-6-4-16-15(10-22)21-17(23-16)14-3-1-2-5-20-14/h1-3,5,7-9H,4,6,10H2
InChIKeyPTNQFTBJQWUYQT-UHFFFAOYSA-N
XLogP3.58
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

(3-chloro-5-fluorophenyl)-[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 74221950
(3-chlorophenyl)-[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 74222037
(3-chloro-5-methylphenyl)-[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 137637236
[2-(5-chloro-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-phenylmethanone
CID 137639643
2-[5-(3-ethynyl-5-fluorophenyl)-4H,5H,6H,7H,8H-[1,3]oxazolo[4,5-c]azepin-2-yl]pyridine
CID 73755220
4-[4-(4-Fluoro-phenyl)-2-(1-methyl-piperidin-4-yl)-oxazol-5-yl]-pyridine
CID 44399530
3-Fluoro-5-(2-(pyridin-2-yl)-7,8-dihydro-4H-oxazolo(4,5-c)azepin-5(6H)-yl)benzonitrile
CID 46853594
3-(2-(Pyridin-2-yl)-6,7-dihydrooxazolo[5,4-c]pyridin-5(4H)-yl)benzonitrile
CID 46912224
3-Fluoro-5-(2-(pyridin-2-yl)-6,7-dihydrooxazolo[5,4-c]pyridin-5(4H)-yl)benzonitrile
CID 46932384
3-(2-(pyridin-2-yl)-6,7-dihydrooxazolo[4,5-c]pyridin-5(4H)-yl)benzonitrile
CID 46932857
5-Phenyl-2-(pyridin-2-yl)-4,5,6,7-tetrahydrooxazolo[4,5-c]pyridine
CID 49782369
3-Fluoro-5-(2-(pyridin-2-yl)-6,7-dihydrooxazolo[4,5-c]pyridin-5(4H)-yl)benzonitrile
CID 49782573

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The IUPAC name of 5-(3,5-difluorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine (CID 46932860) is 5-(3,5-difluorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 5-(3,5-difluorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The canonical SMILES for 5-(3,5-difluorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine is Fc1cc(F)cc(N2CCc3oc(-c4ccccn4)nc3C2)c1.
What is the InChIKey of 5-(3,5-difluorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The InChIKey is PTNQFTBJQWUYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O/c18-11-7-12(19)9-13(8-11)22-6-4-16-15(10-22)21-17(23-16)14-3-1-2-5-20-14/h1-3,5,7-9H,4,6,10H2.
What are the key properties of 5-(3,5-difluorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
5-(3,5-difluorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine has a molecular weight of 313.31 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 46932860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).