4-[4-chloro-3-(trifluoromethyl)phenyl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide

C16H16ClF3N4O2 — CID 113114763

IUPAC4-[4-chloro-3-(trifluoromethyl)phenyl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)no1
InChIInChI=1S/C16H16ClF3N4O2/c1-10-8-14(22-26-10)21-15(25)24-6-4-23(5-7-24)11-2-3-13(17)12(9-11)16(18,19)20/h2-3,8-9H,4-7H2,1H3,(H,21,22,25)
InChIKeyFCSKYBHEQUMJBP-UHFFFAOYSA-N
MW388.78 g/mol
LogP4.01
Rot. Bonds2

About 4-[4-chloro-3-(trifluoromethyl)phenyl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide

4-[4-chloro-3-(trifluoromethyl)phenyl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide (PubChem CID 113114763) has the molecular formula C16H16ClF3N4O2 and a molecular weight of 388.78 g/mol. Its IUPAC name is 4-[4-chloro-3-(trifluoromethyl)phenyl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-chloro-3-(trifluoromethyl)phenyl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
PubChem CID113114763
Molecular FormulaC16H16ClF3N4O2
Molecular Weight388.78 g/mol
Exact Mass388.09
IUPAC Name4-[4-chloro-3-(trifluoromethyl)phenyl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)no1
InChIInChI=1S/C16H16ClF3N4O2/c1-10-8-14(22-26-10)21-15(25)24-6-4-23(5-7-24)11-2-3-13(17)12(9-11)16(18,19)20/h2-3,8-9H,4-7H2,1H3,(H,21,22,25)
InChIKeyFCSKYBHEQUMJBP-UHFFFAOYSA-N
XLogP4.01
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.78
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113112990
4-(3,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113111781
1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
CID 113080051
1-[4-chloro-3-(trifluoromethyl)phenyl]aziridine
CID 134445527
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-3-oxopropanamide
CID 108950660
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide
CID 18863191
2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 24507817
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]sulfanylacetamide
CID 24979159
[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-cyclohexylmethanone
CID 113080057
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide
CID 91969033
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazine-1-carboxamide
CID 122348611
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334296

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-3-(trifluoromethyl)phenyl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-[4-chloro-3-(trifluoromethyl)phenyl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide (CID 113114763) is 4-[4-chloro-3-(trifluoromethyl)phenyl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[4-chloro-3-(trifluoromethyl)phenyl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-[4-chloro-3-(trifluoromethyl)phenyl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide is Cc1cc(NC(=O)N2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)no1.
What is the InChIKey of 4-[4-chloro-3-(trifluoromethyl)phenyl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
The InChIKey is FCSKYBHEQUMJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF3N4O2/c1-10-8-14(22-26-10)21-15(25)24-6-4-23(5-7-24)11-2-3-13(17)12(9-11)16(18,19)20/h2-3,8-9H,4-7H2,1H3,(H,21,22,25).
What are the key properties of 4-[4-chloro-3-(trifluoromethyl)phenyl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
4-[4-chloro-3-(trifluoromethyl)phenyl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide has a molecular weight of 388.78 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-3-(trifluoromethyl)phenyl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 113114763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).