(2-methoxy-3-pyridinyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone

C21H19F3N4O3 — CID 121069133

IUPAC(2-methoxy-3-pyridinyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESCOc1ncccc1C(=O)N1CCCC(c2nnc(-c3ccc(C(F)(F)F)cc3)o2)C1
InChIInChI=1S/C21H19F3N4O3/c1-30-19-16(5-2-10-25-19)20(29)28-11-3-4-14(12-28)18-27-26-17(31-18)13-6-8-15(9-7-13)21(22,23)24/h2,5-10,14H,3-4,11-12H2,1H3
InChIKeyNZHFJNUTWSGXIK-UHFFFAOYSA-N
MW432.40 g/mol
LogP4.18
Rot. Bonds4

About (2-methoxy-3-pyridinyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone

(2-methoxy-3-pyridinyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 121069133) has the molecular formula C21H19F3N4O3 and a molecular weight of 432.40 g/mol. Its IUPAC name is (2-methoxy-3-pyridinyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxy-3-pyridinyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
PubChem CID121069133
Molecular FormulaC21H19F3N4O3
Molecular Weight432.40 g/mol
Exact Mass432.14
IUPAC Name(2-methoxy-3-pyridinyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESCOc1ncccc1C(=O)N1CCCC(c2nnc(-c3ccc(C(F)(F)F)cc3)o2)C1
InChIInChI=1S/C21H19F3N4O3/c1-30-19-16(5-2-10-25-19)20(29)28-11-3-4-14(12-28)18-27-26-17(31-18)13-6-8-15(9-7-13)21(22,23)24/h2,5-10,14H,3-4,11-12H2,1H3
InChIKeyNZHFJNUTWSGXIK-UHFFFAOYSA-N
XLogP4.18
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3-pyridinyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-methoxy-3-pyridinyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (CID 121069133) is (2-methoxy-3-pyridinyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-methoxy-3-pyridinyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-methoxy-3-pyridinyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is COc1ncccc1C(=O)N1CCCC(c2nnc(-c3ccc(C(F)(F)F)cc3)o2)C1.
What is the InChIKey of (2-methoxy-3-pyridinyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is NZHFJNUTWSGXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O3/c1-30-19-16(5-2-10-25-19)20(29)28-11-3-4-14(12-28)18-27-26-17(31-18)13-6-8-15(9-7-13)21(22,23)24/h2,5-10,14H,3-4,11-12H2,1H3.
What are the key properties of (2-methoxy-3-pyridinyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
(2-methoxy-3-pyridinyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 432.40 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-3-pyridinyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 121069133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).