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

C20H19F3N6O2 — CID 129032626

IUPACN-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2cocn2)CC1)c1ccncn1
InChIInChI=1S/C20H19F3N6O2/c21-20(22,23)14-1-2-18(17(9-14)27-19(30)16-3-4-24-12-25-16)29-7-5-28(6-8-29)10-15-11-31-13-26-15/h1-4,9,11-13H,5-8,10H2,(H,27,30)
InChIKeyAAXPPOMJRCZODH-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-4-carboxamide

N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (PubChem CID 129032626) 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-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
PubChem CID129032626
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-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2cocn2)CC1)c1ccncn1
InChIInChI=1S/C20H19F3N6O2/c21-20(22,23)14-1-2-18(17(9-14)27-19(30)16-3-4-24-12-25-16)29-7-5-28(6-8-29)10-15-11-31-13-26-15/h1-4,9,11-13H,5-8,10H2,(H,27,30)
InChIKeyAAXPPOMJRCZODH-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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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (CID 129032626) is N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2cocn2)CC1)c1ccncn1.
What is the InChIKey of N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is AAXPPOMJRCZODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O2/c21-20(22,23)14-1-2-18(17(9-14)27-19(30)16-3-4-24-12-25-16)29-7-5-28(6-8-29)10-15-11-31-13-26-15/h1-4,9,11-13H,5-8,10H2,(H,27,30).
What are the key properties of N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyrimidine-4-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-4-carboxamide is sourced from PubChem (CID 129032626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).