4-(1H-indol-3-yl)-3-methyl-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-oxazol-5-yl]butan-1-one

C22H25F3N4O2 — CID 157347745

IUPAC4-(1H-indol-3-yl)-3-methyl-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-oxazol-5-yl]butan-1-one
SMILESCC(CC(=O)c1cnc(N2CCN(C)C(C(F)(F)F)C2)o1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C22H25F3N4O2/c1-14(9-15-11-26-17-6-4-3-5-16(15)17)10-18(30)19-12-27-21(31-19)29-8-7-28(2)20(13-29)22(23,24)25/h3-6,11-12,14,20,26H,7-10,13H2,1-2H3
InChIKeyVJQOGIJMDDPRLC-UHFFFAOYSA-N
MW434.46 g/mol
LogP4.29
Rot. Bonds6

About 4-(1H-indol-3-yl)-3-methyl-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-oxazol-5-yl]butan-1-one

4-(1H-indol-3-yl)-3-methyl-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-oxazol-5-yl]butan-1-one (PubChem CID 157347745) has the molecular formula C22H25F3N4O2 and a molecular weight of 434.46 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-3-methyl-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-oxazol-5-yl]butan-1-one.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-3-methyl-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-oxazol-5-yl]butan-1-one
PubChem CID157347745
Molecular FormulaC22H25F3N4O2
Molecular Weight434.46 g/mol
Exact Mass434.19
IUPAC Name4-(1H-indol-3-yl)-3-methyl-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-oxazol-5-yl]butan-1-one
SMILESCC(CC(=O)c1cnc(N2CCN(C)C(C(F)(F)F)C2)o1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C22H25F3N4O2/c1-14(9-15-11-26-17-6-4-3-5-16(15)17)10-18(30)19-12-27-21(31-19)29-8-7-28(2)20(13-29)22(23,24)25/h3-6,11-12,14,20,26H,7-10,13H2,1-2H3
InChIKeyVJQOGIJMDDPRLC-UHFFFAOYSA-N
XLogP4.29
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-3-methyl-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-oxazol-5-yl]butan-1-one?
The IUPAC name of 4-(1H-indol-3-yl)-3-methyl-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-oxazol-5-yl]butan-1-one (CID 157347745) is 4-(1H-indol-3-yl)-3-methyl-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-oxazol-5-yl]butan-1-one.
What is the SMILES notation for 4-(1H-indol-3-yl)-3-methyl-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-oxazol-5-yl]butan-1-one?
The canonical SMILES for 4-(1H-indol-3-yl)-3-methyl-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-oxazol-5-yl]butan-1-one is CC(CC(=O)c1cnc(N2CCN(C)C(C(F)(F)F)C2)o1)Cc1c[nH]c2ccccc12.
What is the InChIKey of 4-(1H-indol-3-yl)-3-methyl-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-oxazol-5-yl]butan-1-one?
The InChIKey is VJQOGIJMDDPRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4O2/c1-14(9-15-11-26-17-6-4-3-5-16(15)17)10-18(30)19-12-27-21(31-19)29-8-7-28(2)20(13-29)22(23,24)25/h3-6,11-12,14,20,26H,7-10,13H2,1-2H3.
What are the key properties of 4-(1H-indol-3-yl)-3-methyl-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-oxazol-5-yl]butan-1-one?
4-(1H-indol-3-yl)-3-methyl-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-oxazol-5-yl]butan-1-one has a molecular weight of 434.46 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-3-methyl-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-oxazol-5-yl]butan-1-one is sourced from PubChem (CID 157347745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).