N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide

C22H18FN5O3 — CID 57330733

IUPACN-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide
SMILESCc1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(NC(=O)c2ccncc2F)cn1
InChIInChI=1S/C22H18FN5O3/c1-12-4-5-13(19-20(29)22(2,3)31-28-19)8-15(12)17-10-26-18(11-25-17)27-21(30)14-6-7-24-9-16(14)23/h4-11H,1-3H3,(H,26,27,30)
InChIKeyOFWLFXZYHKJIML-UHFFFAOYSA-N
MW419.42 g/mol
LogP3.32
Rot. Bonds4

About N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide

N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide (PubChem CID 57330733) has the molecular formula C22H18FN5O3 and a molecular weight of 419.42 g/mol. Its IUPAC name is N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide
PubChem CID57330733
Molecular FormulaC22H18FN5O3
Molecular Weight419.42 g/mol
Exact Mass419.14
IUPAC NameN-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide
SMILESCc1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(NC(=O)c2ccncc2F)cn1
InChIInChI=1S/C22H18FN5O3/c1-12-4-5-13(19-20(29)22(2,3)31-28-19)8-15(12)17-10-26-18(11-25-17)27-21(30)14-6-7-24-9-16(14)23/h4-11H,1-3H3,(H,26,27,30)
InChIKeyOFWLFXZYHKJIML-UHFFFAOYSA-N
XLogP3.32
TPSA106.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide (CID 57330733) is N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide is Cc1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(NC(=O)c2ccncc2F)cn1.
What is the InChIKey of N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide?
The InChIKey is OFWLFXZYHKJIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O3/c1-12-4-5-13(19-20(29)22(2,3)31-28-19)8-15(12)17-10-26-18(11-25-17)27-21(30)14-6-7-24-9-16(14)23/h4-11H,1-3H3,(H,26,27,30).
What are the key properties of N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide?
N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide has a molecular weight of 419.42 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 57330733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).