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

C21H20F3N5O2 — CID 129032624

IUPACN-[2-[4-(1,2-oxazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2ccno2)CC1)c1ccccn1
InChIInChI=1S/C21H20F3N5O2/c22-21(23,24)15-4-5-19(18(13-15)27-20(30)17-3-1-2-7-25-17)29-11-9-28(10-12-29)14-16-6-8-26-31-16/h1-8,13H,9-12,14H2,(H,27,30)
InChIKeyGNDOCZPPCWSMGM-UHFFFAOYSA-N
MW431.42 g/mol
LogP3.66
Rot. Bonds5

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

N-[2-[4-(1,2-oxazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 129032624) has the molecular formula C21H20F3N5O2 and a molecular weight of 431.42 g/mol. Its IUPAC name is N-[2-[4-(1,2-oxazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(1,2-oxazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID129032624
Molecular FormulaC21H20F3N5O2
Molecular Weight431.42 g/mol
Exact Mass431.16
IUPAC NameN-[2-[4-(1,2-oxazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2ccno2)CC1)c1ccccn1
InChIInChI=1S/C21H20F3N5O2/c22-21(23,24)15-4-5-19(18(13-15)27-20(30)17-3-1-2-7-25-17)29-11-9-28(10-12-29)14-16-6-8-26-31-16/h1-8,13H,9-12,14H2,(H,27,30)
InChIKeyGNDOCZPPCWSMGM-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

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Related Compounds

N-benzyl-3-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methylamino]benzamide
CID 137656838
N-[2-amino-4-(trifluoromethyl)phenyl]-5-[[(E)-4-pyridin-3-ylbut-3-enoyl]amino]pyridine-2-carboxamide
CID 162492459
ALP-POS-95f71980-21
CID 156906396
N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)-1,2-oxazole-5-carboxamide
CID 163391802
N-methyl-N-[3-[2-methyl-5-phenyl-3-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrrol-1-yl]propyl]-1,2-oxazole-5-carboxamide
CID 89946572
N-(2-(4-(oxazol-4-ylmethyl)piperazin-1-yl)-5-(trifluoromethyl)phenyl)-picolinamide
CID 129032618
N-(2-(4-(oxazol-4-ylmethyl)piperazin-1-yl)-5-(trifluoro-methyl)phenyl)isoxazole-5-carboxamide
CID 129032619
N-(2-(4-(isoxazol-4-ylmethyl)piperazin-1-yl)-5-(trifluoro-methyl)phenyl)-picolinamide
CID 129033055
ALP-POS-305f6ec3-44
CID 156906783
N-[(4-fluorophenyl)methyl]-5-[1-(pyridine-2-carbonyl)piperidin-2-yl]-1,2-oxazole-3-carboxamide
CID 49792233
N-(3-cyanophenyl)-5-[1-(pyridine-2-carbonyl)piperidin-2-yl]-1,2-oxazole-3-carboxamide
CID 49795826
(5-Methyl-1,2-oxazol-3-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone
CID 56662420

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1,2-oxazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-[4-(1,2-oxazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 129032624) is N-[2-[4-(1,2-oxazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[4-(1,2-oxazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[4-(1,2-oxazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2ccno2)CC1)c1ccccn1.
What is the InChIKey of N-[2-[4-(1,2-oxazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is GNDOCZPPCWSMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O2/c22-21(23,24)15-4-5-19(18(13-15)27-20(30)17-3-1-2-7-25-17)29-11-9-28(10-12-29)14-16-6-8-26-31-16/h1-8,13H,9-12,14H2,(H,27,30).
What are the key properties of N-[2-[4-(1,2-oxazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
N-[2-[4-(1,2-oxazol-5-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-(1,2-oxazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 129032624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).