N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C21H20F3N5O2 — CID 129032618

IUPACN-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2cocn2)CC1)c1ccccn1
InChIInChI=1S/C21H20F3N5O2/c22-21(23,24)15-4-5-19(18(11-15)27-20(30)17-3-1-2-6-25-17)29-9-7-28(8-10-29)12-16-13-31-14-26-16/h1-6,11,13-14H,7-10,12H2,(H,27,30)
InChIKeyVIDDUXZBAQEPCP-UHFFFAOYSA-N
MW431.42 g/mol
LogP3.66
Rot. Bonds5

About N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide

N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 129032618) has the molecular formula C21H20F3N5O2 and a molecular weight of 431.42 g/mol. Its IUPAC name is N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID129032618
Molecular FormulaC21H20F3N5O2
Molecular Weight431.42 g/mol
Exact Mass431.16
IUPAC NameN-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2cocn2)CC1)c1ccccn1
InChIInChI=1S/C21H20F3N5O2/c22-21(23,24)15-4-5-19(18(11-15)27-20(30)17-3-1-2-6-25-17)29-9-7-28(8-10-29)12-16-13-31-14-26-16/h1-6,11,13-14H,7-10,12H2,(H,27,30)
InChIKeyVIDDUXZBAQEPCP-UHFFFAOYSA-N
XLogP3.66
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ALP-POS-d0876c20-1
CID 156906461
ALP-POS-02c6a514-50
CID 156906926
ALP-POS-88a7a97e-39
CID 156906533
N-(2-(4-(oxazol-4-ylmethyl)piperazin-1-yl)-5-(trifluoromethyl)phenyl)benzamide
CID 129032599
N-(2-(4-(oxazol-4-ylmethyl)piperazin-1-yl)-5-(trifluoro-methyl)phenyl)oxazole-4-carboxamide
CID 129032602
N-(2-(4-(oxazol-4-ylmethyl)piperazin-1-yl)-5-(trifluoro-methyl)phenyl)-1H-pyrazole-3-carboxamide
CID 129032603
N-(2-(4-(oxazol-4-ylmethyl)piperazin-1-yl)-5-(trifluoro-methyl)phenyl)isoxazole-5-carboxamide
CID 129032619
N-(2-(4-(oxazol-4-ylmethyl)piperazin-1-yl)-5-(trifluoro-methyl)phenyl)-5-(tetrahydro-2H-pyran-4-yl)picolinamide
CID 129032620
N-(2-(4-(isoxazol-5-ylmethyl)piperazin-1-yl)-5-(trifluoro-methyl)phenyl)picolinamide
CID 129032624
N-(2-(4-(oxazol-4-ylmethyl)piperazin-1-yl)-5-(trifluoro-methyl)phenyl)pyrimidine-4-carboxamide
CID 129032626
N-(2-(4-(furan-3-ylmethyl)piperazin-1-yl)-5-(trifluoromethyl)phenyl)picolinamide
CID 129032638
N-(2-(4-(oxazol-4-ylmethyl)piperazin-1-yl)-5-(trifluoro-methyl)phenyl)pyrazine-2-carboxamide
CID 129032651

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 129032618) is N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2cocn2)CC1)c1ccccn1.
What is the InChIKey of N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is VIDDUXZBAQEPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O2/c22-21(23,24)15-4-5-19(18(11-15)27-20(30)17-3-1-2-6-25-17)29-9-7-28(8-10-29)12-16-13-31-14-26-16/h1-6,11,13-14H,7-10,12H2,(H,27,30).
What are the key properties of N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 431.42 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 129032618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).