5-ethyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazole

C16H19F3N4O — CID 75374901

IUPAC5-ethyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazole
SMILESCCc1cnc(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)o1
InChIInChI=1S/C16H19F3N4O/c1-2-13-10-21-15(24-13)11-22-5-7-23(8-6-22)14-4-3-12(9-20-14)16(17,18)19/h3-4,9-10H,2,5-8,11H2,1H3
InChIKeyMXZWXJBNFOAMQG-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.97
Rot. Bonds4

About 5-ethyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazole

5-ethyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazole (PubChem CID 75374901) has the molecular formula C16H19F3N4O and a molecular weight of 340.35 g/mol. Its IUPAC name is 5-ethyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-ethyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazole
PubChem CID75374901
Molecular FormulaC16H19F3N4O
Molecular Weight340.35 g/mol
Exact Mass340.15
IUPAC Name5-ethyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazole
SMILESCCc1cnc(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)o1
InChIInChI=1S/C16H19F3N4O/c1-2-13-10-21-15(24-13)11-22-5-7-23(8-6-22)14-4-3-12(9-20-14)16(17,18)19/h3-4,9-10H,2,5-8,11H2,1H3
InChIKeyMXZWXJBNFOAMQG-UHFFFAOYSA-N
XLogP2.97
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 5-ethyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazole (CID 75374901) is 5-ethyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 5-ethyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 5-ethyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazole is CCc1cnc(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)o1.
What is the InChIKey of 5-ethyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazole?
The InChIKey is MXZWXJBNFOAMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O/c1-2-13-10-21-15(24-13)11-22-5-7-23(8-6-22)14-4-3-12(9-20-14)16(17,18)19/h3-4,9-10H,2,5-8,11H2,1H3.
What are the key properties of 5-ethyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazole?
5-ethyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazole has a molecular weight of 340.35 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 75374901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).