2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone

C17H15FN4O2 — CID 129379310

IUPAC2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone
SMILESO=C(Cc1coc(-c2ccc(F)cc2)n1)N1CCc2[nH]ncc2C1
InChIInChI=1S/C17H15FN4O2/c18-13-3-1-11(2-4-13)17-20-14(10-24-17)7-16(23)22-6-5-15-12(9-22)8-19-21-15/h1-4,8,10H,5-7,9H2,(H,19,21)
InChIKeySWPBKRMVHCETKZ-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.33
Rot. Bonds3

About 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone

2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone (PubChem CID 129379310) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone
PubChem CID129379310
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC Name2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone
SMILESO=C(Cc1coc(-c2ccc(F)cc2)n1)N1CCc2[nH]ncc2C1
InChIInChI=1S/C17H15FN4O2/c18-13-3-1-11(2-4-13)17-20-14(10-24-17)7-16(23)22-6-5-15-12(9-22)8-19-21-15/h1-4,8,10H,5-7,9H2,(H,19,21)
InChIKeySWPBKRMVHCETKZ-UHFFFAOYSA-N
XLogP2.33
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone
CID 119411851
(2R)-4-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]morpholine-2-carboxylic acid
CID 124704000
2-(5-methylthiophen-2-yl)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone
CID 86859600
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone
CID 120818074
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-phenyl-1,3-oxazol-4-yl)ethanone
CID 38446749
(2S)-1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119365486
2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915159
1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 86859832
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 75392995
1-morpholin-4-yl-2-(2-phenyl-1,3-oxazol-4-yl)ethanone
CID 38549400
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone
CID 136579462
[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 146088841

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone (CID 129379310) is 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone is O=C(Cc1coc(-c2ccc(F)cc2)n1)N1CCc2[nH]ncc2C1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone?
The InChIKey is SWPBKRMVHCETKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c18-13-3-1-11(2-4-13)17-20-14(10-24-17)7-16(23)22-6-5-15-12(9-22)8-19-21-15/h1-4,8,10H,5-7,9H2,(H,19,21).
What are the key properties of 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone?
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone has a molecular weight of 326.33 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 129379310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).