N-(3-chlorophenyl)-5-piperidin-1-yl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide

C22H19ClF3N3O2 — CID 46298051

IUPACN-(3-chlorophenyl)-5-piperidin-1-yl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1c(-c2ccc(C(F)(F)F)cc2)noc1N1CCCCC1
InChIInChI=1S/C22H19ClF3N3O2/c23-16-5-4-6-17(13-16)27-20(30)18-19(14-7-9-15(10-8-14)22(24,25)26)28-31-21(18)29-11-2-1-3-12-29/h4-10,13H,1-3,11-12H2,(H,27,30)
InChIKeyDLAWGCZSQACZAP-UHFFFAOYSA-N
MW449.86 g/mol
LogP6.26
Rot. Bonds4

About N-(3-chlorophenyl)-5-piperidin-1-yl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide

N-(3-chlorophenyl)-5-piperidin-1-yl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 46298051) has the molecular formula C22H19ClF3N3O2 and a molecular weight of 449.86 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-piperidin-1-yl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-piperidin-1-yl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID46298051
Molecular FormulaC22H19ClF3N3O2
Molecular Weight449.86 g/mol
Exact Mass449.11
IUPAC NameN-(3-chlorophenyl)-5-piperidin-1-yl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1c(-c2ccc(C(F)(F)F)cc2)noc1N1CCCCC1
InChIInChI=1S/C22H19ClF3N3O2/c23-16-5-4-6-17(13-16)27-20(30)18-19(14-7-9-15(10-8-14)22(24,25)26)28-31-21(18)29-11-2-1-3-12-29/h4-10,13H,1-3,11-12H2,(H,27,30)
InChIKeyDLAWGCZSQACZAP-UHFFFAOYSA-N
XLogP6.26
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.86
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 873609
3-(3-chlorophenyl)-1-(2-methoxyethyl)-1-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]urea
CID 42843747
3-(3-chlorophenyl)-1-(2-methylpropyl)-1-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]urea
CID 46015039
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 41077791
N-(3-chlorophenyl)-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226552
N-(3-chlorophenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53099012
2-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 20959316
4-(azepane-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 109049168
3-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-5-morpholin-4-yl-1,2-oxazole-4-carboxamide
CID 46298045
N-(3-chlorophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53001782
4-(azepan-1-ylsulfonyl)-N-(3-chlorophenyl)benzamide
CID 2665161
4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109204680

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-piperidin-1-yl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-piperidin-1-yl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide (CID 46298051) is N-(3-chlorophenyl)-5-piperidin-1-yl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-piperidin-1-yl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-piperidin-1-yl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide is O=C(Nc1cccc(Cl)c1)c1c(-c2ccc(C(F)(F)F)cc2)noc1N1CCCCC1.
What is the InChIKey of N-(3-chlorophenyl)-5-piperidin-1-yl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is DLAWGCZSQACZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF3N3O2/c23-16-5-4-6-17(13-16)27-20(30)18-19(14-7-9-15(10-8-14)22(24,25)26)28-31-21(18)29-11-2-1-3-12-29/h4-10,13H,1-3,11-12H2,(H,27,30).
What are the key properties of N-(3-chlorophenyl)-5-piperidin-1-yl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
N-(3-chlorophenyl)-5-piperidin-1-yl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 449.86 g/mol, XLogP of 6.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-piperidin-1-yl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46298051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).