N-[4-[[5,6-bis(4-fluorophenyl)pyrazin-2-yl]-ethylamino]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

C27H27F2N5O2 — CID 71199863

IUPACN-[4-[[5,6-bis(4-fluorophenyl)pyrazin-2-yl]-ethylamino]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCN(CCC(C)NC(=O)c1cc(C)on1)c1cnc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C27H27F2N5O2/c1-4-34(14-13-17(2)31-27(35)23-15-18(3)36-33-23)24-16-30-25(19-5-9-21(28)10-6-19)26(32-24)20-7-11-22(29)12-8-20/h5-12,15-17H,4,13-14H2,1-3H3,(H,31,35)
InChIKeyKSIPURUDHPDANS-UHFFFAOYSA-N
MW491.54 g/mol
LogP5.42
Rot. Bonds9

About N-[4-[[5,6-bis(4-fluorophenyl)pyrazin-2-yl]-ethylamino]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

N-[4-[[5,6-bis(4-fluorophenyl)pyrazin-2-yl]-ethylamino]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 71199863) has the molecular formula C27H27F2N5O2 and a molecular weight of 491.54 g/mol. Its IUPAC name is N-[4-[[5,6-bis(4-fluorophenyl)pyrazin-2-yl]-ethylamino]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[5,6-bis(4-fluorophenyl)pyrazin-2-yl]-ethylamino]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID71199863
Molecular FormulaC27H27F2N5O2
Molecular Weight491.54 g/mol
Exact Mass491.21
IUPAC NameN-[4-[[5,6-bis(4-fluorophenyl)pyrazin-2-yl]-ethylamino]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCN(CCC(C)NC(=O)c1cc(C)on1)c1cnc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C27H27F2N5O2/c1-4-34(14-13-17(2)31-27(35)23-15-18(3)36-33-23)24-16-30-25(19-5-9-21(28)10-6-19)26(32-24)20-7-11-22(29)12-8-20/h5-12,15-17H,4,13-14H2,1-3H3,(H,31,35)
InChIKeyKSIPURUDHPDANS-UHFFFAOYSA-N
XLogP5.42
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.54
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[5,6-bis(4-fluorophenyl)pyrazin-2-yl]-ethylamino]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-[[5,6-bis(4-fluorophenyl)pyrazin-2-yl]-ethylamino]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 71199863) is N-[4-[[5,6-bis(4-fluorophenyl)pyrazin-2-yl]-ethylamino]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-[[5,6-bis(4-fluorophenyl)pyrazin-2-yl]-ethylamino]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-[[5,6-bis(4-fluorophenyl)pyrazin-2-yl]-ethylamino]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is CCN(CCC(C)NC(=O)c1cc(C)on1)c1cnc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[4-[[5,6-bis(4-fluorophenyl)pyrazin-2-yl]-ethylamino]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is KSIPURUDHPDANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N5O2/c1-4-34(14-13-17(2)31-27(35)23-15-18(3)36-33-23)24-16-30-25(19-5-9-21(28)10-6-19)26(32-24)20-7-11-22(29)12-8-20/h5-12,15-17H,4,13-14H2,1-3H3,(H,31,35).
What are the key properties of N-[4-[[5,6-bis(4-fluorophenyl)pyrazin-2-yl]-ethylamino]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[4-[[5,6-bis(4-fluorophenyl)pyrazin-2-yl]-ethylamino]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 491.54 g/mol, XLogP of 5.42, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5,6-bis(4-fluorophenyl)pyrazin-2-yl]-ethylamino]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71199863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).