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

C16H16F3N3O2 — CID 56760665

IUPAC4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-2-one
SMILESCc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CCNC(=O)C1
InChIInChI=1S/C16H16F3N3O2/c1-10-13(8-22-6-5-20-14(23)9-22)21-15(24-10)11-3-2-4-12(7-11)16(17,18)19/h2-4,7H,5-6,8-9H2,1H3,(H,20,23)
InChIKeyZOZZQSWJTLQKAU-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.60
Rot. Bonds3

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

4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-2-one (PubChem CID 56760665) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-2-one
PubChem CID56760665
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-2-one
SMILESCc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CCNC(=O)C1
InChIInChI=1S/C16H16F3N3O2/c1-10-13(8-22-6-5-20-14(23)9-22)21-15(24-10)11-3-2-4-12(7-11)16(17,18)19/h2-4,7H,5-6,8-9H2,1H3,(H,20,23)
InChIKeyZOZZQSWJTLQKAU-UHFFFAOYSA-N
XLogP2.60
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,4-diazepan-1-ylmethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole;dihydrochloride
CID 154889410
5-methyl-4-(pyrrolidin-1-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 56758334
2-[4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-1-yl]ethanol
CID 56757456
(3S)-1-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperidine-3-carbonitrile
CID 95216916
5-methyl-4-[(3-methyl-1,2,4-triazol-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 56750905
2-[(2R)-4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]morpholin-2-yl]ethanol
CID 95202746
4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 42509081
5-methyl-4-(1,2,4-triazol-1-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 56750372
methyl 2-[methyl-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]amino]acetate
CID 56750581
4-[[3-(1,3-benzoxazol-2-yl)phenyl]methyl]piperazin-2-one
CID 70070501
3-(3-fluorophenyl)-4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-2-one
CID 45180573
4-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]morpholine
CID 30851824

Frequently Asked Questions

What is the IUPAC name of 4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-2-one?
The IUPAC name of 4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-2-one (CID 56760665) is 4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-2-one.
What is the SMILES notation for 4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-2-one?
The canonical SMILES for 4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-2-one is Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CCNC(=O)C1.
What is the InChIKey of 4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-2-one?
The InChIKey is ZOZZQSWJTLQKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-10-13(8-22-6-5-20-14(23)9-22)21-15(24-10)11-3-2-4-12(7-11)16(17,18)19/h2-4,7H,5-6,8-9H2,1H3,(H,20,23).
What are the key properties of 4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-2-one?
4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-2-one has a molecular weight of 339.32 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-2-one is sourced from PubChem (CID 56760665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).