(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone

C19H17F3N6O3 — CID 71780523

IUPAC(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(C2CC2)on1)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)cn2)CC1
InChIInChI=1S/C19H17F3N6O3/c20-19(21,22)18-24-16(26-31-18)12-3-4-15(23-10-12)27-5-7-28(8-6-27)17(29)13-9-14(30-25-13)11-1-2-11/h3-4,9-11H,1-2,5-8H2
InChIKeyKTXFSOOGAUFWQK-UHFFFAOYSA-N
MW434.38 g/mol
LogP2.98
Rot. Bonds4

About (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone

(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 71780523) has the molecular formula C19H17F3N6O3 and a molecular weight of 434.38 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID71780523
Molecular FormulaC19H17F3N6O3
Molecular Weight434.38 g/mol
Exact Mass434.13
IUPAC Name(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(C2CC2)on1)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)cn2)CC1
InChIInChI=1S/C19H17F3N6O3/c20-19(21,22)18-24-16(26-31-18)12-3-4-15(23-10-12)27-5-7-28(8-6-27)17(29)13-9-14(30-25-13)11-1-2-11/h3-4,9-11H,1-2,5-8H2
InChIKeyKTXFSOOGAUFWQK-UHFFFAOYSA-N
XLogP2.98
TPSA101.39 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.38
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone (CID 71780523) is (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone is O=C(c1cc(C2CC2)on1)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)cn2)CC1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is KTXFSOOGAUFWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N6O3/c20-19(21,22)18-24-16(26-31-18)12-3-4-15(23-10-12)27-5-7-28(8-6-27)17(29)13-9-14(30-25-13)11-1-2-11/h3-4,9-11H,1-2,5-8H2.
What are the key properties of (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone?
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 434.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 71780523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).