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

C18H16F3N5O3 — CID 97344994

IUPAC[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanone
SMILESCc1nc([C@@H]2CN(C(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)CCO2)no1
InChIInChI=1S/C18H16F3N5O3/c1-11-23-16(24-29-11)14-10-25(7-8-28-14)17(27)13-9-22-26(15(13)18(19,20)21)12-5-3-2-4-6-12/h2-6,9,14H,7-8,10H2,1H3/t14-/m0/s1
InChIKeyMGTUNHLTGNSWLD-AWEZNQCLSA-N
MW407.35 g/mol
LogP2.80
Rot. Bonds3

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

[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanone (PubChem CID 97344994) has the molecular formula C18H16F3N5O3 and a molecular weight of 407.35 g/mol. Its IUPAC name is [(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanone
PubChem CID97344994
Molecular FormulaC18H16F3N5O3
Molecular Weight407.35 g/mol
Exact Mass407.12
IUPAC Name[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanone
SMILESCc1nc([C@@H]2CN(C(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)CCO2)no1
InChIInChI=1S/C18H16F3N5O3/c1-11-23-16(24-29-11)14-10-25(7-8-28-14)17(27)13-9-22-26(15(13)18(19,20)21)12-5-3-2-4-6-12/h2-6,9,14H,7-8,10H2,1H3/t14-/m0/s1
InChIKeyMGTUNHLTGNSWLD-AWEZNQCLSA-N
XLogP2.80
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.35
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanone with MolForge

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Related Compounds

[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 46536673
[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-quinoxalin-2-ylmethanone
CID 127781397
4-[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 119239800
4-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 119239330
(4-tert-butylphenyl)-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 97344999
[2-(furan-2-yl)quinolin-4-yl]-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 75474799
2-[(2R)-4-(5-methyl-1-phenylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124697804
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone
CID 30766526
ethyl 5-[2-[1-[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]piperidin-4-yl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate
CID 3837125
(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(1-phenyltetrazol-5-yl)morpholine
CID 124744190
[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-[(3S)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone
CID 97261871
(3-aminopiperidin-1-yl)-[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone
CID 119380884

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanone?
The IUPAC name of [(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanone (CID 97344994) is [(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanone.
What is the SMILES notation for [(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanone?
The canonical SMILES for [(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanone is Cc1nc([C@@H]2CN(C(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)CCO2)no1.
What is the InChIKey of [(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanone?
The InChIKey is MGTUNHLTGNSWLD-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H16F3N5O3/c1-11-23-16(24-29-11)14-10-25(7-8-28-14)17(27)13-9-22-26(15(13)18(19,20)21)12-5-3-2-4-6-12/h2-6,9,14H,7-8,10H2,1H3/t14-/m0/s1.
What are the key properties of [(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanone?
[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanone has a molecular weight of 407.35 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanone is sourced from PubChem (CID 97344994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).