[3-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone

C22H19FN6O3 — CID 71566434

IUPAC[3-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone
SMILESO=C(c1cccc(F)c1-n1nccn1)N1CCOC[C@H]1Cc1cccc(-c2ncon2)c1
InChIInChI=1S/C22H19FN6O3/c23-19-6-2-5-18(20(19)29-25-7-8-26-29)22(30)28-9-10-31-13-17(28)12-15-3-1-4-16(11-15)21-24-14-32-27-21/h1-8,11,14,17H,9-10,12-13H2/t17-/m1/s1
InChIKeyMWFCDHIHHZBJPV-QGZVFWFLSA-N
MW434.43 g/mol
LogP2.54
Rot. Bonds5

About [3-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone

[3-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone (PubChem CID 71566434) has the molecular formula C22H19FN6O3 and a molecular weight of 434.43 g/mol. Its IUPAC name is [3-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name[3-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone
PubChem CID71566434
Molecular FormulaC22H19FN6O3
Molecular Weight434.43 g/mol
Exact Mass434.15
IUPAC Name[3-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone
SMILESO=C(c1cccc(F)c1-n1nccn1)N1CCOC[C@H]1Cc1cccc(-c2ncon2)c1
InChIInChI=1S/C22H19FN6O3/c23-19-6-2-5-18(20(19)29-25-7-8-26-29)22(30)28-9-10-31-13-17(28)12-15-3-1-4-16(11-15)21-24-14-32-27-21/h1-8,11,14,17H,9-10,12-13H2/t17-/m1/s1
InChIKeyMWFCDHIHHZBJPV-QGZVFWFLSA-N
XLogP2.54
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.43
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone?
The IUPAC name of [3-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone (CID 71566434) is [3-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone.
What is the SMILES notation for [3-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone?
The canonical SMILES for [3-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone is O=C(c1cccc(F)c1-n1nccn1)N1CCOC[C@H]1Cc1cccc(-c2ncon2)c1.
What is the InChIKey of [3-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone?
The InChIKey is MWFCDHIHHZBJPV-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H19FN6O3/c23-19-6-2-5-18(20(19)29-25-7-8-26-29)22(30)28-9-10-31-13-17(28)12-15-3-1-4-16(11-15)21-24-14-32-27-21/h1-8,11,14,17H,9-10,12-13H2/t17-/m1/s1.
What are the key properties of [3-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone?
[3-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone has a molecular weight of 434.43 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 71566434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).