(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone

C16H18F3N5O2 — CID 91631600

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCc1nc(N2CCN(C(=O)c3c(C)noc3C)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C16H18F3N5O2/c1-9-14(10(2)26-22-9)15(25)24-6-4-23(5-7-24)13-8-12(16(17,18)19)20-11(3)21-13/h8H,4-7H2,1-3H3
InChIKeyTVUXHBXIADXCRS-UHFFFAOYSA-N
MW369.35 g/mol
LogP2.37
Rot. Bonds2

About (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 91631600) has the molecular formula C16H18F3N5O2 and a molecular weight of 369.35 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID91631600
Molecular FormulaC16H18F3N5O2
Molecular Weight369.35 g/mol
Exact Mass369.14
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCc1nc(N2CCN(C(=O)c3c(C)noc3C)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C16H18F3N5O2/c1-9-14(10(2)26-22-9)15(25)24-6-4-23(5-7-24)13-8-12(16(17,18)19)20-11(3)21-13/h8H,4-7H2,1-3H3
InChIKeyTVUXHBXIADXCRS-UHFFFAOYSA-N
XLogP2.37
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone (CID 91631600) is (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone is Cc1nc(N2CCN(C(=O)c3c(C)noc3C)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is TVUXHBXIADXCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O2/c1-9-14(10(2)26-22-9)15(25)24-6-4-23(5-7-24)13-8-12(16(17,18)19)20-11(3)21-13/h8H,4-7H2,1-3H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 369.35 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 91631600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).