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

C19H19FN4O2 — CID 16673224

IUPAC[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
SMILESCC(C)n1nccc1C(=O)N1CCc2onc(-c3ccccc3F)c2C1
InChIInChI=1S/C19H19FN4O2/c1-12(2)24-16(7-9-21-24)19(25)23-10-8-17-14(11-23)18(22-26-17)13-5-3-4-6-15(13)20/h3-7,9,12H,8,10-11H2,1-2H3
InChIKeyLKDYQHWIOVRUOX-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.46
Rot. Bonds3

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

[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(2-propan-2-ylpyrazol-3-yl)methanone (PubChem CID 16673224) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is [3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(2-propan-2-ylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
PubChem CID16673224
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
SMILESCC(C)n1nccc1C(=O)N1CCc2onc(-c3ccccc3F)c2C1
InChIInChI=1S/C19H19FN4O2/c1-12(2)24-16(7-9-21-24)19(25)23-10-8-17-14(11-23)18(22-26-17)13-5-3-4-6-15(13)20/h3-7,9,12H,8,10-11H2,1-2H3
InChIKeyLKDYQHWIOVRUOX-UHFFFAOYSA-N
XLogP3.46
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(2-propan-2-ylpyrazol-3-yl)methanone?
The IUPAC name of [3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(2-propan-2-ylpyrazol-3-yl)methanone (CID 16673224) is [3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(2-propan-2-ylpyrazol-3-yl)methanone.
What is the SMILES notation for [3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(2-propan-2-ylpyrazol-3-yl)methanone?
The canonical SMILES for [3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(2-propan-2-ylpyrazol-3-yl)methanone is CC(C)n1nccc1C(=O)N1CCc2onc(-c3ccccc3F)c2C1.
What is the InChIKey of [3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(2-propan-2-ylpyrazol-3-yl)methanone?
The InChIKey is LKDYQHWIOVRUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-12(2)24-16(7-9-21-24)19(25)23-10-8-17-14(11-23)18(22-26-17)13-5-3-4-6-15(13)20/h3-7,9,12H,8,10-11H2,1-2H3.
What are the key properties of [3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(2-propan-2-ylpyrazol-3-yl)methanone?
[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(2-propan-2-ylpyrazol-3-yl)methanone has a molecular weight of 354.39 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(2-propan-2-ylpyrazol-3-yl)methanone is sourced from PubChem (CID 16673224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).