3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-1-one

C24H21ClF3N3O3 — CID 46424427

IUPAC3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-1-one
SMILESO=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C24H21ClF3N3O3/c25-17-7-5-16(6-8-17)20-15-29-21(34-20)9-10-22(32)30-11-13-31(14-12-30)23(33)18-3-1-2-4-19(18)24(26,27)28/h1-8,15H,9-14H2
InChIKeyGRNUZLYNFPYZBA-UHFFFAOYSA-N
MW491.90 g/mol
LogP4.93
Rot. Bonds5

About 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-1-one

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-1-one (PubChem CID 46424427) has the molecular formula C24H21ClF3N3O3 and a molecular weight of 491.90 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-1-one
PubChem CID46424427
Molecular FormulaC24H21ClF3N3O3
Molecular Weight491.90 g/mol
Exact Mass491.12
IUPAC Name3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-1-one
SMILESO=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C24H21ClF3N3O3/c25-17-7-5-16(6-8-17)20-15-29-21(34-20)9-10-22(32)30-11-13-31(14-12-30)23(33)18-3-1-2-4-19(18)24(26,27)28/h1-8,15H,9-14H2
InChIKeyGRNUZLYNFPYZBA-UHFFFAOYSA-N
XLogP4.93
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.90
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 30176196
2-[4-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 134011752
1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide
CID 30888753
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CID 94556875
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 41248921
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-one;dihydrochloride
CID 120657241
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 119484802
4-phenoxy-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]butan-1-one
CID 108536244
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-1-one (CID 46424427) is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-1-one is O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-1-one?
The InChIKey is GRNUZLYNFPYZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF3N3O3/c25-17-7-5-16(6-8-17)20-15-29-21(34-20)9-10-22(32)30-11-13-31(14-12-30)23(33)18-3-1-2-4-19(18)24(26,27)28/h1-8,15H,9-14H2.
What are the key properties of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-1-one?
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-1-one has a molecular weight of 491.90 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 46424427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).