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

C22H19F4N3O2 — CID 45180573

IUPAC3-(3-fluorophenyl)-4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-2-one
SMILESCc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN1CCNC(=O)C1c1cccc(F)c1
InChIInChI=1S/C22H19F4N3O2/c1-13-18(28-21(31-13)14-5-7-16(8-6-14)22(24,25)26)12-29-10-9-27-20(30)19(29)15-3-2-4-17(23)11-15/h2-8,11,19H,9-10,12H2,1H3,(H,27,30)
InChIKeyQFBWQLFBVJNBCL-UHFFFAOYSA-N
MW433.41 g/mol
LogP4.48
Rot. Bonds4

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

3-(3-fluorophenyl)-4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-2-one (PubChem CID 45180573) has the molecular formula C22H19F4N3O2 and a molecular weight of 433.41 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-2-one
PubChem CID45180573
Molecular FormulaC22H19F4N3O2
Molecular Weight433.41 g/mol
Exact Mass433.14
IUPAC Name3-(3-fluorophenyl)-4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-2-one
SMILESCc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN1CCNC(=O)C1c1cccc(F)c1
InChIInChI=1S/C22H19F4N3O2/c1-13-18(28-21(31-13)14-5-7-16(8-6-14)22(24,25)26)12-29-10-9-27-20(30)19(29)15-3-2-4-17(23)11-15/h2-8,11,19H,9-10,12H2,1H3,(H,27,30)
InChIKeyQFBWQLFBVJNBCL-UHFFFAOYSA-N
XLogP4.48
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.41
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

(3R)-3-(3-fluorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one
CID 125170348
(3R)-3-methyl-4-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-2-one
CID 95560870
4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-2-one
CID 56760665
1-[2-[(2S)-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 25293471
methyl (2S)-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperidine-2-carboxylate
CID 25452915
(3S)-3-(3-fluorophenyl)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperazin-2-one
CID 99945587
(3S)-4-[[3-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]morpholine-3-carboxylic acid
CID 69171245
5-methyl-4-(pyrrolidin-1-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 56758334
5-[[(2S)-3-oxo-2-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]furan-2-carbonitrile
CID 97160362
4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylpiperazin-2-one
CID 21292130
(3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-2-one
CID 51929935
(2R)-1-[[4-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]azetidine-2-carboxylic acid
CID 25071550

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-2-one?
The IUPAC name of 3-(3-fluorophenyl)-4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-2-one (CID 45180573) is 3-(3-fluorophenyl)-4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-2-one.
What is the SMILES notation for 3-(3-fluorophenyl)-4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-2-one?
The canonical SMILES for 3-(3-fluorophenyl)-4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-2-one is Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN1CCNC(=O)C1c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-2-one?
The InChIKey is QFBWQLFBVJNBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F4N3O2/c1-13-18(28-21(31-13)14-5-7-16(8-6-14)22(24,25)26)12-29-10-9-27-20(30)19(29)15-3-2-4-17(23)11-15/h2-8,11,19H,9-10,12H2,1H3,(H,27,30).
What are the key properties of 3-(3-fluorophenyl)-4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-2-one?
3-(3-fluorophenyl)-4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-2-one has a molecular weight of 433.41 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-2-one is sourced from PubChem (CID 45180573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).