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

C19H21FN4O — CID 42287235

IUPAC3-(2-fluorophenyl)-5-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCC(C)n1cc(CN2CCc3onc(-c4ccccc4F)c3C2)cn1
InChIInChI=1S/C19H21FN4O/c1-13(2)24-11-14(9-21-24)10-23-8-7-18-16(12-23)19(22-25-18)15-5-3-4-6-17(15)20/h3-6,9,11,13H,7-8,10,12H2,1-2H3
InChIKeyJOSKLQRFGSHYJW-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.82
Rot. Bonds4

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

3-(2-fluorophenyl)-5-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 42287235) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID42287235
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name3-(2-fluorophenyl)-5-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCC(C)n1cc(CN2CCc3onc(-c4ccccc4F)c3C2)cn1
InChIInChI=1S/C19H21FN4O/c1-13(2)24-11-14(9-21-24)10-23-8-7-18-16(12-23)19(22-25-18)15-5-3-4-6-17(15)20/h3-6,9,11,13H,7-8,10,12H2,1-2H3
InChIKeyJOSKLQRFGSHYJW-UHFFFAOYSA-N
XLogP3.82
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 3-(2-fluorophenyl)-5-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 42287235) is 3-(2-fluorophenyl)-5-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 3-(2-fluorophenyl)-5-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 3-(2-fluorophenyl)-5-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is CC(C)n1cc(CN2CCc3onc(-c4ccccc4F)c3C2)cn1.
What is the InChIKey of 3-(2-fluorophenyl)-5-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is JOSKLQRFGSHYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-13(2)24-11-14(9-21-24)10-23-8-7-18-16(12-23)19(22-25-18)15-5-3-4-6-17(15)20/h3-6,9,11,13H,7-8,10,12H2,1-2H3.
What are the key properties of 3-(2-fluorophenyl)-5-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
3-(2-fluorophenyl)-5-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 340.40 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 42287235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).