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

C21H19F3N4O2 — CID 2741611

IUPAC(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCc1onc(-c2ccccc2)c1C(=O)N1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C21H19F3N4O2/c1-14-17(18(26-30-14)15-6-3-2-4-7-15)20(29)28-12-10-27(11-13-28)19-16(21(22,23)24)8-5-9-25-19/h2-9H,10-13H2,1H3
InChIKeyKYKLNWFIOHHGKO-UHFFFAOYSA-N
MW416.40 g/mol
LogP4.03
Rot. Bonds3

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

(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 2741611) has the molecular formula C21H19F3N4O2 and a molecular weight of 416.40 g/mol. Its IUPAC name is (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID2741611
Molecular FormulaC21H19F3N4O2
Molecular Weight416.40 g/mol
Exact Mass416.15
IUPAC Name(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCc1onc(-c2ccccc2)c1C(=O)N1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C21H19F3N4O2/c1-14-17(18(26-30-14)15-6-3-2-4-7-15)20(29)28-12-10-27(11-13-28)19-16(21(22,23)24)8-5-9-25-19/h2-9H,10-13H2,1H3
InChIKeyKYKLNWFIOHHGKO-UHFFFAOYSA-N
XLogP4.03
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (CID 2741611) is (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is Cc1onc(-c2ccccc2)c1C(=O)N1CCN(c2ncccc2C(F)(F)F)CC1.
What is the InChIKey of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is KYKLNWFIOHHGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O2/c1-14-17(18(26-30-14)15-6-3-2-4-7-15)20(29)28-12-10-27(11-13-28)19-16(21(22,23)24)8-5-9-25-19/h2-9H,10-13H2,1H3.
What are the key properties of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 416.40 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 2741611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).