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

C17H15FN4O2 — CID 86265119

IUPAC6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCc2oncc2C1
InChIInChI=1S/C17H15FN4O2/c1-21-15(8-14(20-21)11-2-4-13(18)5-3-11)17(23)22-7-6-16-12(10-22)9-19-24-16/h2-5,8-9H,6-7,10H2,1H3
InChIKeyXEMJYDAVABIPKU-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.41
Rot. Bonds2

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

6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone (PubChem CID 86265119) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone.

Molecular Properties

Compound Name6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
PubChem CID86265119
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC Name6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCc2oncc2C1
InChIInChI=1S/C17H15FN4O2/c1-21-15(8-14(20-21)11-2-4-13(18)5-3-11)17(23)22-7-6-16-12(10-22)9-19-24-16/h2-5,8-9H,6-7,10H2,1H3
InChIKeyXEMJYDAVABIPKU-UHFFFAOYSA-N
XLogP2.41
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone?
The IUPAC name of 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone (CID 86265119) is 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone.
What is the SMILES notation for 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone?
The canonical SMILES for 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone is Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCc2oncc2C1.
What is the InChIKey of 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone?
The InChIKey is XEMJYDAVABIPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c1-21-15(8-14(20-21)11-2-4-13(18)5-3-11)17(23)22-7-6-16-12(10-22)9-19-24-16/h2-5,8-9H,6-7,10H2,1H3.
What are the key properties of 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone?
6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone has a molecular weight of 326.33 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone is sourced from PubChem (CID 86265119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).