N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methyl-1,2-oxazole-5-carboxamide

C16H9ClF2N4O4 — CID 90394516

IUPACN-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1
InChIInChI=1S/C16H9ClF2N4O4/c1-7-4-22-27-14(7)15(24)23-13-6-20-10(5-21-13)8-2-11-12(3-9(8)17)26-16(18,19)25-11/h2-6H,1H3,(H,21,23,24)
InChIKeyUQTWYXISFNQUMW-UHFFFAOYSA-N
MW394.72 g/mol
LogP3.67
Rot. Bonds3

About N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methyl-1,2-oxazole-5-carboxamide

N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methyl-1,2-oxazole-5-carboxamide (PubChem CID 90394516) has the molecular formula C16H9ClF2N4O4 and a molecular weight of 394.72 g/mol. Its IUPAC name is N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methyl-1,2-oxazole-5-carboxamide
PubChem CID90394516
Molecular FormulaC16H9ClF2N4O4
Molecular Weight394.72 g/mol
Exact Mass394.03
IUPAC NameN-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1
InChIInChI=1S/C16H9ClF2N4O4/c1-7-4-22-27-14(7)15(24)23-13-6-20-10(5-21-13)8-2-11-12(3-9(8)17)26-16(18,19)25-11/h2-6H,1H3,(H,21,23,24)
InChIKeyUQTWYXISFNQUMW-UHFFFAOYSA-N
XLogP3.67
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.72
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methyl-1,2-oxazole-5-carboxamide (CID 90394516) is N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methyl-1,2-oxazole-5-carboxamide is Cc1cnoc1C(=O)Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.
What is the InChIKey of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is UQTWYXISFNQUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF2N4O4/c1-7-4-22-27-14(7)15(24)23-13-6-20-10(5-21-13)8-2-11-12(3-9(8)17)26-16(18,19)25-11/h2-6H,1H3,(H,21,23,24).
What are the key properties of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methyl-1,2-oxazole-5-carboxamide?
N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 394.72 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 90394516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).