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

C18H19FN4O3S — CID 42395454

IUPAC3-(2-fluorophenyl)-5-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCc2onc(-c3ccccc3F)c2C1
InChIInChI=1S/C18H19FN4O3S/c1-11-18(12(2)22(3)20-11)27(24,25)23-9-8-16-14(10-23)17(21-26-16)13-6-4-5-7-15(13)19/h4-7H,8-10H2,1-3H3
InChIKeyYGJRENCGSYXMEU-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.58
Rot. Bonds3

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

3-(2-fluorophenyl)-5-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 42395454) has the molecular formula C18H19FN4O3S and a molecular weight of 390.44 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID42395454
Molecular FormulaC18H19FN4O3S
Molecular Weight390.44 g/mol
Exact Mass390.12
IUPAC Name3-(2-fluorophenyl)-5-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCc2onc(-c3ccccc3F)c2C1
InChIInChI=1S/C18H19FN4O3S/c1-11-18(12(2)22(3)20-11)27(24,25)23-9-8-16-14(10-23)17(21-26-16)13-6-4-5-7-15(13)19/h4-7H,8-10H2,1-3H3
InChIKeyYGJRENCGSYXMEU-UHFFFAOYSA-N
XLogP2.58
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 3-(2-fluorophenyl)-5-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 42395454) is 3-(2-fluorophenyl)-5-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 3-(2-fluorophenyl)-5-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 3-(2-fluorophenyl)-5-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is Cc1nn(C)c(C)c1S(=O)(=O)N1CCc2onc(-c3ccccc3F)c2C1.
What is the InChIKey of 3-(2-fluorophenyl)-5-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is YGJRENCGSYXMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3S/c1-11-18(12(2)22(3)20-11)27(24,25)23-9-8-16-14(10-23)17(21-26-16)13-6-4-5-7-15(13)19/h4-7H,8-10H2,1-3H3.
What are the key properties of 3-(2-fluorophenyl)-5-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
3-(2-fluorophenyl)-5-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 390.44 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 42395454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).