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

C21H23FN4O2 — CID 25297433

IUPAC(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
SMILESCCn1nc(C(C)C)cc1C(=O)N1CCc2onc(-c3cccc(F)c3)c2C1
InChIInChI=1S/C21H23FN4O2/c1-4-26-18(11-17(23-26)13(2)3)21(27)25-9-8-19-16(12-25)20(24-28-19)14-6-5-7-15(22)10-14/h5-7,10-11,13H,4,8-9,12H2,1-3H3
InChIKeyJLZAZSHCAWNMRP-UHFFFAOYSA-N
MW382.44 g/mol
LogP4.02
Rot. Bonds4

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

(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone (PubChem CID 25297433) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
PubChem CID25297433
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Name(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
SMILESCCn1nc(C(C)C)cc1C(=O)N1CCc2onc(-c3cccc(F)c3)c2C1
InChIInChI=1S/C21H23FN4O2/c1-4-26-18(11-17(23-26)13(2)3)21(27)25-9-8-19-16(12-25)20(24-28-19)14-6-5-7-15(22)10-14/h5-7,10-11,13H,4,8-9,12H2,1-3H3
InChIKeyJLZAZSHCAWNMRP-UHFFFAOYSA-N
XLogP4.02
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone (CID 25297433) is (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone is CCn1nc(C(C)C)cc1C(=O)N1CCc2onc(-c3cccc(F)c3)c2C1.
What is the InChIKey of (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is JLZAZSHCAWNMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-4-26-18(11-17(23-26)13(2)3)21(27)25-9-8-19-16(12-25)20(24-28-19)14-6-5-7-15(22)10-14/h5-7,10-11,13H,4,8-9,12H2,1-3H3.
What are the key properties of (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 382.44 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 25297433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).