(1-propylpyrazol-3-yl)-[(2S)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone

C20H20F3N5O3 — CID 92590816

IUPAC(1-propylpyrazol-3-yl)-[(2S)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone
SMILESCCCn1ccc(C(=O)N2CCO[C@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)n1
InChIInChI=1S/C20H20F3N5O3/c1-2-7-28-8-6-15(25-28)19(29)27-9-10-30-16(12-27)18-24-17(26-31-18)13-4-3-5-14(11-13)20(21,22)23/h3-6,8,11,16H,2,7,9-10,12H2,1H3/t16-/m0/s1
InChIKeyCRVHPNIXIZLUDI-INIZCTEOSA-N
MW435.41 g/mol
LogP3.58
Rot. Bonds5

About (1-propylpyrazol-3-yl)-[(2S)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone

(1-propylpyrazol-3-yl)-[(2S)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone (PubChem CID 92590816) has the molecular formula C20H20F3N5O3 and a molecular weight of 435.41 g/mol. Its IUPAC name is (1-propylpyrazol-3-yl)-[(2S)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(1-propylpyrazol-3-yl)-[(2S)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone
PubChem CID92590816
Molecular FormulaC20H20F3N5O3
Molecular Weight435.41 g/mol
Exact Mass435.15
IUPAC Name(1-propylpyrazol-3-yl)-[(2S)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone
SMILESCCCn1ccc(C(=O)N2CCO[C@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)n1
InChIInChI=1S/C20H20F3N5O3/c1-2-7-28-8-6-15(25-28)19(29)27-9-10-30-16(12-27)18-24-17(26-31-18)13-4-3-5-14(11-13)20(21,22)23/h3-6,8,11,16H,2,7,9-10,12H2,1H3/t16-/m0/s1
InChIKeyCRVHPNIXIZLUDI-INIZCTEOSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
(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
1,6-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
2-(3,5-dimethylpyrazol-1-yl)-1-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone
CID 110242920
[(2R)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1-propylpyrazol-3-yl)methanone
CID 124952383
4-methyl-2-[4-(1-propylpyrazole-3-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 136844343
(1-ethylpyrazol-4-yl)-[(2R)-2-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone
CID 92590071
1-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
CID 121095594
(1-propylpyrazol-3-yl)-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 124955626
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
(1-methyl-3-phenylpyrazol-5-yl)-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 71784092

Frequently Asked Questions

What is the IUPAC name of (1-propylpyrazol-3-yl)-[(2S)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone?
The IUPAC name of (1-propylpyrazol-3-yl)-[(2S)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone (CID 92590816) is (1-propylpyrazol-3-yl)-[(2S)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone.
What is the SMILES notation for (1-propylpyrazol-3-yl)-[(2S)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone?
The canonical SMILES for (1-propylpyrazol-3-yl)-[(2S)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone is CCCn1ccc(C(=O)N2CCO[C@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)n1.
What is the InChIKey of (1-propylpyrazol-3-yl)-[(2S)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone?
The InChIKey is CRVHPNIXIZLUDI-INIZCTEOSA-N. The full InChI is InChI=1S/C20H20F3N5O3/c1-2-7-28-8-6-15(25-28)19(29)27-9-10-30-16(12-27)18-24-17(26-31-18)13-4-3-5-14(11-13)20(21,22)23/h3-6,8,11,16H,2,7,9-10,12H2,1H3/t16-/m0/s1.
What are the key properties of (1-propylpyrazol-3-yl)-[(2S)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone?
(1-propylpyrazol-3-yl)-[(2S)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone has a molecular weight of 435.41 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propylpyrazol-3-yl)-[(2S)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone is sourced from PubChem (CID 92590816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).