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

C20H23FN4O — CID 25455849

IUPAC3-(3-fluorophenyl)-5-[(3-methyl-1-propylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCCCn1cc(CN2CCc3onc(-c4cccc(F)c4)c3C2)c(C)n1
InChIInChI=1S/C20H23FN4O/c1-3-8-25-12-16(14(2)22-25)11-24-9-7-19-18(13-24)20(23-26-19)15-5-4-6-17(21)10-15/h4-6,10,12H,3,7-9,11,13H2,1-2H3
InChIKeyNQYAIKUFNGZKIH-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.95
Rot. Bonds5

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

3-(3-fluorophenyl)-5-[(3-methyl-1-propylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 25455849) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-[(3-methyl-1-propylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-[(3-methyl-1-propylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID25455849
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC Name3-(3-fluorophenyl)-5-[(3-methyl-1-propylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCCCn1cc(CN2CCc3onc(-c4cccc(F)c4)c3C2)c(C)n1
InChIInChI=1S/C20H23FN4O/c1-3-8-25-12-16(14(2)22-25)11-24-9-7-19-18(13-24)20(23-26-19)15-5-4-6-17(21)10-15/h4-6,10,12H,3,7-9,11,13H2,1-2H3
InChIKeyNQYAIKUFNGZKIH-UHFFFAOYSA-N
XLogP3.95
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-[(3-methyl-1-propylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 3-(3-fluorophenyl)-5-[(3-methyl-1-propylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 25455849) is 3-(3-fluorophenyl)-5-[(3-methyl-1-propylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 3-(3-fluorophenyl)-5-[(3-methyl-1-propylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 3-(3-fluorophenyl)-5-[(3-methyl-1-propylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is CCCn1cc(CN2CCc3onc(-c4cccc(F)c4)c3C2)c(C)n1.
What is the InChIKey of 3-(3-fluorophenyl)-5-[(3-methyl-1-propylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is NQYAIKUFNGZKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O/c1-3-8-25-12-16(14(2)22-25)11-24-9-7-19-18(13-24)20(23-26-19)15-5-4-6-17(21)10-15/h4-6,10,12H,3,7-9,11,13H2,1-2H3.
What are the key properties of 3-(3-fluorophenyl)-5-[(3-methyl-1-propylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
3-(3-fluorophenyl)-5-[(3-methyl-1-propylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 354.43 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-[(3-methyl-1-propylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 25455849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).