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

C20H19F3N6O2 — CID 129032655

IUPACN-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyrimidine-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2cocn2)CC1)c1ncccn1
InChIInChI=1S/C20H19F3N6O2/c21-20(22,23)14-2-3-17(16(10-14)27-19(30)18-24-4-1-5-25-18)29-8-6-28(7-9-29)11-15-12-31-13-26-15/h1-5,10,12-13H,6-9,11H2,(H,27,30)
InChIKeyXLCOWQAPOUXRDP-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]pyrimidine-2-carboxamide

N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyrimidine-2-carboxamide (PubChem CID 129032655) 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]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyrimidine-2-carboxamide
PubChem CID129032655
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]pyrimidine-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2cocn2)CC1)c1ncccn1
InChIInChI=1S/C20H19F3N6O2/c21-20(22,23)14-2-3-17(16(10-14)27-19(30)18-24-4-1-5-25-18)29-8-6-28(7-9-29)11-15-12-31-13-26-15/h1-5,10,12-13H,6-9,11H2,(H,27,30)
InChIKeyXLCOWQAPOUXRDP-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

N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 129032603
N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide
CID 129032619
N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 55470932
N-[2-[4-(furan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 129032652
N-[2-[4-(furan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide
CID 129032643
N-[2-(4-hydroxyazepan-1-yl)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 151283957
N-[2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide
CID 129032608
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 1081261
N-[2-piperazin-1-yl-5-(trifluoromethyl)phenyl]isoquinoline-1-carboxamide
CID 161309658
N-[2-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 129032656
4-ethoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1395997
4-ethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2093034

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyrimidine-2-carboxamide?
The IUPAC name of N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyrimidine-2-carboxamide (CID 129032655) is N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyrimidine-2-carboxamide?
The canonical SMILES for N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyrimidine-2-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2cocn2)CC1)c1ncccn1.
What is the InChIKey of N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyrimidine-2-carboxamide?
The InChIKey is XLCOWQAPOUXRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O2/c21-20(22,23)14-2-3-17(16(10-14)27-19(30)18-24-4-1-5-25-18)29-8-6-28(7-9-29)11-15-12-31-13-26-15/h1-5,10,12-13H,6-9,11H2,(H,27,30).
What are the key properties of N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyrimidine-2-carboxamide?
N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyrimidine-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]pyrimidine-2-carboxamide is sourced from PubChem (CID 129032655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).