4,5-dimethyl-2-[[4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methyl]-1,3-oxazole

C20H21F3N4O — CID 133401245

IUPAC4,5-dimethyl-2-[[4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methyl]-1,3-oxazole
SMILESCc1nc(CN2CCN(c3ccnc4cc(C(F)(F)F)ccc34)CC2)oc1C
InChIInChI=1S/C20H21F3N4O/c1-13-14(2)28-19(25-13)12-26-7-9-27(10-8-26)18-5-6-24-17-11-15(20(21,22)23)3-4-16(17)18/h3-6,11H,7-10,12H2,1-2H3
InChIKeyIMNMLQHTFJWUIC-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.18
Rot. Bonds3

About 4,5-dimethyl-2-[[4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methyl]-1,3-oxazole

4,5-dimethyl-2-[[4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methyl]-1,3-oxazole (PubChem CID 133401245) has the molecular formula C20H21F3N4O and a molecular weight of 390.41 g/mol. Its IUPAC name is 4,5-dimethyl-2-[[4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name4,5-dimethyl-2-[[4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methyl]-1,3-oxazole
PubChem CID133401245
Molecular FormulaC20H21F3N4O
Molecular Weight390.41 g/mol
Exact Mass390.17
IUPAC Name4,5-dimethyl-2-[[4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methyl]-1,3-oxazole
SMILESCc1nc(CN2CCN(c3ccnc4cc(C(F)(F)F)ccc34)CC2)oc1C
InChIInChI=1S/C20H21F3N4O/c1-13-14(2)28-19(25-13)12-26-7-9-27(10-8-26)18-5-6-24-17-11-15(20(21,22)23)3-4-16(17)18/h3-6,11H,7-10,12H2,1-2H3
InChIKeyIMNMLQHTFJWUIC-UHFFFAOYSA-N
XLogP4.18
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 97213813
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CID 119046010
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CID 133322234
CID 133322234

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[[4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 4,5-dimethyl-2-[[4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methyl]-1,3-oxazole (CID 133401245) is 4,5-dimethyl-2-[[4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 4,5-dimethyl-2-[[4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 4,5-dimethyl-2-[[4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methyl]-1,3-oxazole is Cc1nc(CN2CCN(c3ccnc4cc(C(F)(F)F)ccc34)CC2)oc1C.
What is the InChIKey of 4,5-dimethyl-2-[[4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methyl]-1,3-oxazole?
The InChIKey is IMNMLQHTFJWUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O/c1-13-14(2)28-19(25-13)12-26-7-9-27(10-8-26)18-5-6-24-17-11-15(20(21,22)23)3-4-16(17)18/h3-6,11H,7-10,12H2,1-2H3.
What are the key properties of 4,5-dimethyl-2-[[4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methyl]-1,3-oxazole?
4,5-dimethyl-2-[[4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methyl]-1,3-oxazole has a molecular weight of 390.41 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[[4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 133401245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).