[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-[(3S)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone

C19H22F3N5O3 — CID 97261871

IUPAC[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-[(3S)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone
SMILESCc1nc([C@H]2CN(C(=O)[C@H]3CCCN(c4ncccc4C(F)(F)F)C3)CCO2)no1
InChIInChI=1S/C19H22F3N5O3/c1-12-24-16(25-30-12)15-11-27(8-9-29-15)18(28)13-4-3-7-26(10-13)17-14(19(20,21)22)5-2-6-23-17/h2,5-6,13,15H,3-4,7-11H2,1H3/t13-,15+/m0/s1
InChIKeyMIRULILNGMTEDB-DZGCQCFKSA-N
MW425.41 g/mol
LogP2.61
Rot. Bonds3

About [(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-[(3S)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone

[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-[(3S)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone (PubChem CID 97261871) has the molecular formula C19H22F3N5O3 and a molecular weight of 425.41 g/mol. Its IUPAC name is [(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-[(3S)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-[(3S)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone
PubChem CID97261871
Molecular FormulaC19H22F3N5O3
Molecular Weight425.41 g/mol
Exact Mass425.17
IUPAC Name[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-[(3S)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone
SMILESCc1nc([C@H]2CN(C(=O)[C@H]3CCCN(c4ncccc4C(F)(F)F)C3)CCO2)no1
InChIInChI=1S/C19H22F3N5O3/c1-12-24-16(25-30-12)15-11-27(8-9-29-15)18(28)13-4-3-7-26(10-13)17-14(19(20,21)22)5-2-6-23-17/h2,5-6,13,15H,3-4,7-11H2,1H3/t13-,15+/m0/s1
InChIKeyMIRULILNGMTEDB-DZGCQCFKSA-N
XLogP2.61
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.41
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-[(3S)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone?
The IUPAC name of [(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) is [(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-[(3S)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone.
What is the SMILES notation for [(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-[(3S)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone?
The canonical SMILES for [(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-[(3S)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone is Cc1nc([C@H]2CN(C(=O)[C@H]3CCCN(c4ncccc4C(F)(F)F)C3)CCO2)no1.
What is the InChIKey of [(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-[(3S)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone?
The InChIKey is MIRULILNGMTEDB-DZGCQCFKSA-N. The full InChI is InChI=1S/C19H22F3N5O3/c1-12-24-16(25-30-12)15-11-27(8-9-29-15)18(28)13-4-3-7-26(10-13)17-14(19(20,21)22)5-2-6-23-17/h2,5-6,13,15H,3-4,7-11H2,1H3/t13-,15+/m0/s1.
What are the key properties of [(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-[(3S)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone?
[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-[(3S)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone has a molecular weight of 425.41 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-[(3S)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone is sourced from PubChem (CID 97261871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).