4-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3-oxazole

C13H14F3N5O — CID 86806801

IUPAC4-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3-oxazole
SMILESFC(F)(F)c1ccnc(N2CCN(Cc3cocn3)CC2)n1
InChIInChI=1S/C13H14F3N5O/c14-13(15,16)11-1-2-17-12(19-11)21-5-3-20(4-6-21)7-10-8-22-9-18-10/h1-2,8-9H,3-7H2
InChIKeySAEKQMQDBDTZRI-UHFFFAOYSA-N
MW313.28 g/mol
LogP1.81
Rot. Bonds3

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

4-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3-oxazole (PubChem CID 86806801) has the molecular formula C13H14F3N5O and a molecular weight of 313.28 g/mol. Its IUPAC name is 4-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3-oxazole
PubChem CID86806801
Molecular FormulaC13H14F3N5O
Molecular Weight313.28 g/mol
Exact Mass313.12
IUPAC Name4-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3-oxazole
SMILESFC(F)(F)c1ccnc(N2CCN(Cc3cocn3)CC2)n1
InChIInChI=1S/C13H14F3N5O/c14-13(15,16)11-1-2-17-12(19-11)21-5-3-20(4-6-21)7-10-8-22-9-18-10/h1-2,8-9H,3-7H2
InChIKeySAEKQMQDBDTZRI-UHFFFAOYSA-N
XLogP1.81
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 4-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3-oxazole (CID 86806801) is 4-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 4-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 4-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3-oxazole is FC(F)(F)c1ccnc(N2CCN(Cc3cocn3)CC2)n1.
What is the InChIKey of 4-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3-oxazole?
The InChIKey is SAEKQMQDBDTZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5O/c14-13(15,16)11-1-2-17-12(19-11)21-5-3-20(4-6-21)7-10-8-22-9-18-10/h1-2,8-9H,3-7H2.
What are the key properties of 4-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3-oxazole?
4-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3-oxazole has a molecular weight of 313.28 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 86806801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).