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

C20H19F3N6O2 — CID 129032651

IUPACN-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2cocn2)CC1)c1cnccn1
InChIInChI=1S/C20H19F3N6O2/c21-20(22,23)14-1-2-18(16(9-14)27-19(30)17-10-24-3-4-25-17)29-7-5-28(6-8-29)11-15-12-31-13-26-15/h1-4,9-10,12-13H,5-8,11H2,(H,27,30)
InChIKeyYBWIDJSTBWRUHK-UHFFFAOYSA-N
MW432.41 g/mol
LogP3.06
Rot. Bonds5

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

N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (PubChem CID 129032651) has the molecular formula C20H19F3N6O2 and a molecular weight of 432.41 g/mol. Its IUPAC name is N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
PubChem CID129032651
Molecular FormulaC20H19F3N6O2
Molecular Weight432.41 g/mol
Exact Mass432.15
IUPAC NameN-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2cocn2)CC1)c1cnccn1
InChIInChI=1S/C20H19F3N6O2/c21-20(22,23)14-1-2-18(16(9-14)27-19(30)17-10-24-3-4-25-17)29-7-5-28(6-8-29)11-15-12-31-13-26-15/h1-4,9-10,12-13H,5-8,11H2,(H,27,30)
InChIKeyYBWIDJSTBWRUHK-UHFFFAOYSA-N
XLogP3.06
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ALP-POS-d0876c20-21
CID 156906473
N-[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
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N-[4-[(3S)-piperidin-3-yl]phenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
CID 67241318
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-(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-(oxazol-4-ylmethyl)piperazin-1-yl)-5-(trifluoro-methyl)phenyl)-5-(tetrahydro-2H-pyran-4-yl)picolinamide
CID 129032620
N-(2-(4-(oxazol-4-ylmethyl)piperazin-1-yl)-5-(trifluoro-methyl)phenyl)pyrimidine-4-carboxamide
CID 129032626
N-(2-(4-(oxazol-4-ylmethyl)piperazin-1-yl)-5-(trifluoro-methyl)phenyl)pyrimidine-2-carboxamide
CID 129032655
N-(2-(4-(oxazol-4-ylmethyl)piperazin-1-yl)-5-(trifluoro-methyl)phenyl)-6-(tetrahydro-2H-pyran-4-yl)picolinamide
CID 129032667
ALP-POS-ced8ea4d-37
CID 156906614

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (CID 129032651) is N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2cocn2)CC1)c1cnccn1.
What is the InChIKey of N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is YBWIDJSTBWRUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O2/c21-20(22,23)14-1-2-18(16(9-14)27-19(30)17-10-24-3-4-25-17)29-7-5-28(6-8-29)11-15-12-31-13-26-15/h1-4,9-10,12-13H,5-8,11H2,(H,27,30).
What are the key properties of N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 432.41 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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]pyrazine-2-carboxamide is sourced from PubChem (CID 129032651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).