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

C18H16FN3O3S — CID 169422441

IUPAC5-[(2-fluorophenyl)methylsulfonyl]-2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
SMILESO=S(=O)(Cc1ccccc1F)N1CCc2oc(-c3cccnc3)nc2C1
InChIInChI=1S/C18H16FN3O3S/c19-15-6-2-1-4-14(15)12-26(23,24)22-9-7-17-16(11-22)21-18(25-17)13-5-3-8-20-10-13/h1-6,8,10H,7,9,11-12H2
InChIKeyNUCXZWDYKZYUNN-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.76
Rot. Bonds4

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

5-[(2-fluorophenyl)methylsulfonyl]-2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine (PubChem CID 169422441) has the molecular formula C18H16FN3O3S and a molecular weight of 373.41 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methylsulfonyl]-2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methylsulfonyl]-2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
PubChem CID169422441
Molecular FormulaC18H16FN3O3S
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC Name5-[(2-fluorophenyl)methylsulfonyl]-2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
SMILESO=S(=O)(Cc1ccccc1F)N1CCc2oc(-c3cccnc3)nc2C1
InChIInChI=1S/C18H16FN3O3S/c19-15-6-2-1-4-14(15)12-26(23,24)22-9-7-17-16(11-22)21-18(25-17)13-5-3-8-20-10-13/h1-6,8,10H,7,9,11-12H2
InChIKeyNUCXZWDYKZYUNN-UHFFFAOYSA-N
XLogP2.76
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3-(1H-imidazol-5-yl)-1-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 169420006
5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 169415039
(1-methylpyrrolidin-3-yl)-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170512029
2-propan-2-yl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 169412615
[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170512265
5-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridine-2-carbonitrile
CID 169413116
2-ethoxy-1-[4-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone
CID 170509764
3-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]propanoic acid
CID 90307766
(5R,6S)-5-phenyl-6-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)morpholin-3-one
CID 170507374
1-[(2-fluorophenyl)methylsulfonyl]-2-pyridin-3-ylpiperazine
CID 120763880
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170502442
5-[(2-fluorophenyl)methylsulfonyl]-3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 71819787

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methylsulfonyl]-2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The IUPAC name of 5-[(2-fluorophenyl)methylsulfonyl]-2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine (CID 169422441) is 5-[(2-fluorophenyl)methylsulfonyl]-2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 5-[(2-fluorophenyl)methylsulfonyl]-2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The canonical SMILES for 5-[(2-fluorophenyl)methylsulfonyl]-2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine is O=S(=O)(Cc1ccccc1F)N1CCc2oc(-c3cccnc3)nc2C1.
What is the InChIKey of 5-[(2-fluorophenyl)methylsulfonyl]-2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The InChIKey is NUCXZWDYKZYUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S/c19-15-6-2-1-4-14(15)12-26(23,24)22-9-7-17-16(11-22)21-18(25-17)13-5-3-8-20-10-13/h1-6,8,10H,7,9,11-12H2.
What are the key properties of 5-[(2-fluorophenyl)methylsulfonyl]-2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
5-[(2-fluorophenyl)methylsulfonyl]-2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine has a molecular weight of 373.41 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methylsulfonyl]-2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 169422441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).