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

C23H21FN6O4 — CID 71565588

IUPAC[4-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[4-methoxy-3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone
SMILESCOc1ccc(C[C@@H]2COCCN2C(=O)c2ccc(F)cc2-n2nccn2)cc1-c1ncon1
InChIInChI=1S/C23H21FN6O4/c1-32-21-5-2-15(11-19(21)22-25-14-34-28-22)10-17-13-33-9-8-29(17)23(31)18-4-3-16(24)12-20(18)30-26-6-7-27-30/h2-7,11-12,14,17H,8-10,13H2,1H3/t17-/m1/s1
InChIKeyCZXWCWCRILWJKE-QGZVFWFLSA-N
MW464.46 g/mol
LogP2.55
Rot. Bonds6

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

[4-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[4-methoxy-3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone (PubChem CID 71565588) has the molecular formula C23H21FN6O4 and a molecular weight of 464.46 g/mol. Its IUPAC name is [4-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[4-methoxy-3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name[4-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[4-methoxy-3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone
PubChem CID71565588
Molecular FormulaC23H21FN6O4
Molecular Weight464.46 g/mol
Exact Mass464.16
IUPAC Name[4-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[4-methoxy-3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone
SMILESCOc1ccc(C[C@@H]2COCCN2C(=O)c2ccc(F)cc2-n2nccn2)cc1-c1ncon1
InChIInChI=1S/C23H21FN6O4/c1-32-21-5-2-15(11-19(21)22-25-14-34-28-22)10-17-13-33-9-8-29(17)23(31)18-4-3-16(24)12-20(18)30-26-6-7-27-30/h2-7,11-12,14,17H,8-10,13H2,1H3/t17-/m1/s1
InChIKeyCZXWCWCRILWJKE-QGZVFWFLSA-N
XLogP2.55
TPSA108.40 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.46
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

[(3R)-3-[[4-methoxy-3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 71565518
[(3R)-3-[[4-methoxy-3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone
CID 71565590
[(3R)-3-[[4-methoxy-3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 71566667
[4,5-dimethyl-2-(triazol-2-yl)phenyl]-[(2S)-2-[5-(2-ethoxy-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 73775167
[4,5-dimethyl-2-(triazol-2-yl)phenyl]-[(2S)-2-[5-(3-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 118355369
[(3R)-3-[[4-methoxy-3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[2-methyl-6-(triazol-2-yl)phenyl]methanone
CID 71565589
[5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone
CID 71565729
[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 71565793
[(R)-3-(4-methoxy-3-pyrimidin-2-yl-benzyl)-morpholin-4-yl]-(2-[1,2,3]triazol-2-yl-phenyl)-methanone
CID 71565871
[4-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone
CID 71566433
[3-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone
CID 71566434
[4,5-difluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone
CID 71566513

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[4-methoxy-3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone?
The IUPAC name of [4-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[4-methoxy-3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone (CID 71565588) is [4-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[4-methoxy-3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone.
What is the SMILES notation for [4-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[4-methoxy-3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone?
The canonical SMILES for [4-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[4-methoxy-3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone is COc1ccc(C[C@@H]2COCCN2C(=O)c2ccc(F)cc2-n2nccn2)cc1-c1ncon1.
What is the InChIKey of [4-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[4-methoxy-3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone?
The InChIKey is CZXWCWCRILWJKE-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H21FN6O4/c1-32-21-5-2-15(11-19(21)22-25-14-34-28-22)10-17-13-33-9-8-29(17)23(31)18-4-3-16(24)12-20(18)30-26-6-7-27-30/h2-7,11-12,14,17H,8-10,13H2,1H3/t17-/m1/s1.
What are the key properties of [4-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[4-methoxy-3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone?
[4-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[4-methoxy-3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone has a molecular weight of 464.46 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[4-methoxy-3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 71565588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).