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

C15H15FN2O3S — CID 108783294

IUPAC6-cyclopropylsulfonyl-3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine
SMILESO=S(=O)(C1CC1)N1CCc2c(noc2-c2ccc(F)cc2)C1
InChIInChI=1S/C15H15FN2O3S/c16-11-3-1-10(2-4-11)15-13-7-8-18(9-14(13)17-21-15)22(19,20)12-5-6-12/h1-4,12H,5-9H2
InChIKeyGEAMAGSIUUTRRU-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.33
Rot. Bonds3

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

6-cyclopropylsulfonyl-3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine (PubChem CID 108783294) has the molecular formula C15H15FN2O3S and a molecular weight of 322.36 g/mol. Its IUPAC name is 6-cyclopropylsulfonyl-3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine.

Molecular Properties

Compound Name6-cyclopropylsulfonyl-3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine
PubChem CID108783294
Molecular FormulaC15H15FN2O3S
Molecular Weight322.36 g/mol
Exact Mass322.08
IUPAC Name6-cyclopropylsulfonyl-3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine
SMILESO=S(=O)(C1CC1)N1CCc2c(noc2-c2ccc(F)cc2)C1
InChIInChI=1S/C15H15FN2O3S/c16-11-3-1-10(2-4-11)15-13-7-8-18(9-14(13)17-21-15)22(19,20)12-5-6-12/h1-4,12H,5-9H2
InChIKeyGEAMAGSIUUTRRU-UHFFFAOYSA-N
XLogP2.33
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropylsulfonyl-3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine?
The IUPAC name of 6-cyclopropylsulfonyl-3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine (CID 108783294) is 6-cyclopropylsulfonyl-3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine.
What is the SMILES notation for 6-cyclopropylsulfonyl-3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine?
The canonical SMILES for 6-cyclopropylsulfonyl-3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine is O=S(=O)(C1CC1)N1CCc2c(noc2-c2ccc(F)cc2)C1.
What is the InChIKey of 6-cyclopropylsulfonyl-3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine?
The InChIKey is GEAMAGSIUUTRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3S/c16-11-3-1-10(2-4-11)15-13-7-8-18(9-14(13)17-21-15)22(19,20)12-5-6-12/h1-4,12H,5-9H2.
What are the key properties of 6-cyclopropylsulfonyl-3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine?
6-cyclopropylsulfonyl-3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine has a molecular weight of 322.36 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropylsulfonyl-3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine is sourced from PubChem (CID 108783294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).