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

C23H18F2N4O2 — CID 46970594

IUPAC[3-(3-fluorophenyl)-6,7-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)N1CCc2onc(-c3cccc(F)c3)c2C1
InChIInChI=1S/C23H18F2N4O2/c1-28-20(12-19(26-28)14-5-7-16(24)8-6-14)23(30)29-10-9-21-18(13-29)22(27-31-21)15-3-2-4-17(25)11-15/h2-8,11-12H,9-10,13H2,1H3
InChIKeyRNCIYDGLXRMSOX-UHFFFAOYSA-N
MW420.42 g/mol
LogP4.22
Rot. Bonds3

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

[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone (PubChem CID 46970594) has the molecular formula C23H18F2N4O2 and a molecular weight of 420.42 g/mol. Its IUPAC name is [3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone.

Molecular Properties

Compound Name[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
PubChem CID46970594
Molecular FormulaC23H18F2N4O2
Molecular Weight420.42 g/mol
Exact Mass420.14
IUPAC Name[3-(3-fluorophenyl)-6,7-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)N1CCc2onc(-c3cccc(F)c3)c2C1
InChIInChI=1S/C23H18F2N4O2/c1-28-20(12-19(26-28)14-5-7-16(24)8-6-14)23(30)29-10-9-21-18(13-29)22(27-31-21)15-3-2-4-17(25)11-15/h2-8,11-12H,9-10,13H2,1H3
InChIKeyRNCIYDGLXRMSOX-UHFFFAOYSA-N
XLogP4.22
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-amino-1-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-methylpropan-1-one
CID 56758823
[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(thiadiazol-4-yl)methanone
CID 29184365
1-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one
CID 46971865
(2S)-1-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one
CID 51583735
(2,6-dimethylmorpholin-4-yl)-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
CID 42758584
(5-ethyl-1H-pyrazol-3-yl)-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 56878539
(3-amino-1H-pyrazol-5-yl)-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 56755359
[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone
CID 155985561
(3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 46972679
1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-methylsulfanylethanone
CID 29151035
[(3S)-3-(4-fluorophenyl)azepan-1-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
CID 99979716
2-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]benzoic acid
CID 56742227

Frequently Asked Questions

What is the IUPAC name of [3-(3-fluorophenyl)-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 [3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone (CID 46970594) is [3-(3-fluorophenyl)-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 [3-(3-fluorophenyl)-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 [3-(3-fluorophenyl)-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)N1CCc2onc(-c3cccc(F)c3)c2C1.
What is the InChIKey of [3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone?
The InChIKey is RNCIYDGLXRMSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O2/c1-28-20(12-19(26-28)14-5-7-16(24)8-6-14)23(30)29-10-9-21-18(13-29)22(27-31-21)15-3-2-4-17(25)11-15/h2-8,11-12H,9-10,13H2,1H3.
What are the key properties of [3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone?
[3-(3-fluorophenyl)-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 420.42 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluorophenyl)-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 46970594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).