3-(3-methylpyrazol-1-yl)-1-[(2S)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one

C20H20F3N5O3 — CID 92562548

IUPAC3-(3-methylpyrazol-1-yl)-1-[(2S)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one
SMILESCc1ccn(CCC(=O)N2CCO[C@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)n1
InChIInChI=1S/C20H20F3N5O3/c1-13-5-7-28(25-13)8-6-17(29)27-9-10-30-16(12-27)19-24-18(26-31-19)14-3-2-4-15(11-14)20(21,22)23/h2-5,7,11,16H,6,8-10,12H2,1H3/t16-/m0/s1
InChIKeySJHMPKDIVJOMKG-INIZCTEOSA-N
MW435.41 g/mol
LogP3.25
Rot. Bonds5

About 3-(3-methylpyrazol-1-yl)-1-[(2S)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one

3-(3-methylpyrazol-1-yl)-1-[(2S)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one (PubChem CID 92562548) has the molecular formula C20H20F3N5O3 and a molecular weight of 435.41 g/mol. Its IUPAC name is 3-(3-methylpyrazol-1-yl)-1-[(2S)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-methylpyrazol-1-yl)-1-[(2S)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one
PubChem CID92562548
Molecular FormulaC20H20F3N5O3
Molecular Weight435.41 g/mol
Exact Mass435.15
IUPAC Name3-(3-methylpyrazol-1-yl)-1-[(2S)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one
SMILESCc1ccn(CCC(=O)N2CCO[C@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)n1
InChIInChI=1S/C20H20F3N5O3/c1-13-5-7-28(25-13)8-6-17(29)27-9-10-30-16(12-27)19-24-18(26-31-19)14-3-2-4-15(11-14)20(21,22)23/h2-5,7,11,16H,6,8-10,12H2,1H3/t16-/m0/s1
InChIKeySJHMPKDIVJOMKG-INIZCTEOSA-N
XLogP3.25
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.41
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(1-propylpyrazol-3-yl)-[(2S)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone
CID 92590816
2-(3,5-dimethylpyrazol-1-yl)-1-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone
CID 110242920
3-(3-methylpyrazol-1-yl)-1-[(2R)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one
CID 92562549
1,6-dimethyl-3-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carbonyl]pyridin-2-one
CID 110242925
(4,5-dimethylthiophen-3-yl)-[(2S)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone
CID 92598338
3-pyrazol-1-yl-1-[(2S)-2-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one
CID 92568307
(5-propan-2-yl-1H-pyrazol-3-yl)-[(2R)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone
CID 92580782
1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 110115964
1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 124945971
1-[(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 124940912
3-(3-methylpyrazol-1-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one
CID 124946669
1-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
CID 121095594

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpyrazol-1-yl)-1-[(2S)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(3-methylpyrazol-1-yl)-1-[(2S)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one (CID 92562548) is 3-(3-methylpyrazol-1-yl)-1-[(2S)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(3-methylpyrazol-1-yl)-1-[(2S)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(3-methylpyrazol-1-yl)-1-[(2S)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one is Cc1ccn(CCC(=O)N2CCO[C@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)n1.
What is the InChIKey of 3-(3-methylpyrazol-1-yl)-1-[(2S)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one?
The InChIKey is SJHMPKDIVJOMKG-INIZCTEOSA-N. The full InChI is InChI=1S/C20H20F3N5O3/c1-13-5-7-28(25-13)8-6-17(29)27-9-10-30-16(12-27)19-24-18(26-31-19)14-3-2-4-15(11-14)20(21,22)23/h2-5,7,11,16H,6,8-10,12H2,1H3/t16-/m0/s1.
What are the key properties of 3-(3-methylpyrazol-1-yl)-1-[(2S)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one?
3-(3-methylpyrazol-1-yl)-1-[(2S)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one has a molecular weight of 435.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpyrazol-1-yl)-1-[(2S)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one is sourced from PubChem (CID 92562548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).