N-[1-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide

C25H21F2N5O2 — CID 71199858

IUPACN-[1-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCN(c2cnc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)n2)CC1)c1ccno1
InChIInChI=1S/C25H21F2N5O2/c26-18-5-1-16(2-6-18)23-24(17-3-7-19(27)8-4-17)31-22(15-28-23)32-13-10-20(11-14-32)30-25(33)21-9-12-29-34-21/h1-9,12,15,20H,10-11,13-14H2,(H,30,33)
InChIKeyHSRFHVKUBKKZBY-UHFFFAOYSA-N
MW461.47 g/mol
LogP4.48
Rot. Bonds5

About N-[1-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide

N-[1-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide (PubChem CID 71199858) has the molecular formula C25H21F2N5O2 and a molecular weight of 461.47 g/mol. Its IUPAC name is N-[1-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
PubChem CID71199858
Molecular FormulaC25H21F2N5O2
Molecular Weight461.47 g/mol
Exact Mass461.17
IUPAC NameN-[1-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCN(c2cnc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)n2)CC1)c1ccno1
InChIInChI=1S/C25H21F2N5O2/c26-18-5-1-16(2-6-18)23-24(17-3-7-19(27)8-4-17)31-22(15-28-23)32-13-10-20(11-14-32)30-25(33)21-9-12-29-34-21/h1-9,12,15,20H,10-11,13-14H2,(H,30,33)
InChIKeyHSRFHVKUBKKZBY-UHFFFAOYSA-N
XLogP4.48
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.47
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[1-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide (CID 71199858) is N-[1-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[1-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide is O=C(NC1CCN(c2cnc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)n2)CC1)c1ccno1.
What is the InChIKey of N-[1-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is HSRFHVKUBKKZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N5O2/c26-18-5-1-16(2-6-18)23-24(17-3-7-19(27)8-4-17)31-22(15-28-23)32-13-10-20(11-14-32)30-25(33)21-9-12-29-34-21/h1-9,12,15,20H,10-11,13-14H2,(H,30,33).
What are the key properties of N-[1-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide?
N-[1-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 461.47 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 71199858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).