N-[5-(3,6-dimethyl-2-oxo-1,3-benzoxazol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide

C20H14F2N4O3 — CID 86764193

IUPACN-[5-(3,6-dimethyl-2-oxo-1,3-benzoxazol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide
SMILESCc1cc2oc(=O)n(C)c2cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1
InChIInChI=1S/C20H14F2N4O3/c1-10-6-16-15(26(2)20(28)29-16)7-11(10)14-8-24-17(9-23-14)25-19(27)18-12(21)4-3-5-13(18)22/h3-9H,1-2H3,(H,24,25,27)
InChIKeyUWSXTTLDCUUQJU-UHFFFAOYSA-N
MW396.35 g/mol
LogP3.43
Rot. Bonds3

About N-[5-(3,6-dimethyl-2-oxo-1,3-benzoxazol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide

N-[5-(3,6-dimethyl-2-oxo-1,3-benzoxazol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide (PubChem CID 86764193) has the molecular formula C20H14F2N4O3 and a molecular weight of 396.35 g/mol. Its IUPAC name is N-[5-(3,6-dimethyl-2-oxo-1,3-benzoxazol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[5-(3,6-dimethyl-2-oxo-1,3-benzoxazol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide
PubChem CID86764193
Molecular FormulaC20H14F2N4O3
Molecular Weight396.35 g/mol
Exact Mass396.10
IUPAC NameN-[5-(3,6-dimethyl-2-oxo-1,3-benzoxazol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide
SMILESCc1cc2oc(=O)n(C)c2cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1
InChIInChI=1S/C20H14F2N4O3/c1-10-6-16-15(26(2)20(28)29-16)7-11(10)14-8-24-17(9-23-14)25-19(27)18-12(21)4-3-5-13(18)22/h3-9H,1-2H3,(H,24,25,27)
InChIKeyUWSXTTLDCUUQJU-UHFFFAOYSA-N
XLogP3.43
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3,6-dimethyl-2-oxo-1,3-benzoxazol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[5-(3,6-dimethyl-2-oxo-1,3-benzoxazol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide (CID 86764193) is N-[5-(3,6-dimethyl-2-oxo-1,3-benzoxazol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[5-(3,6-dimethyl-2-oxo-1,3-benzoxazol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[5-(3,6-dimethyl-2-oxo-1,3-benzoxazol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide is Cc1cc2oc(=O)n(C)c2cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1.
What is the InChIKey of N-[5-(3,6-dimethyl-2-oxo-1,3-benzoxazol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide?
The InChIKey is UWSXTTLDCUUQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O3/c1-10-6-16-15(26(2)20(28)29-16)7-11(10)14-8-24-17(9-23-14)25-19(27)18-12(21)4-3-5-13(18)22/h3-9H,1-2H3,(H,24,25,27).
What are the key properties of N-[5-(3,6-dimethyl-2-oxo-1,3-benzoxazol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide?
N-[5-(3,6-dimethyl-2-oxo-1,3-benzoxazol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide has a molecular weight of 396.35 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,6-dimethyl-2-oxo-1,3-benzoxazol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 86764193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).