3-(1,3-benzoxazol-2-yl)-5-(3-ethylsulfonylphenyl)pyrazin-2-amine

C19H16N4O3S — CID 67388957

IUPAC3-(1,3-benzoxazol-2-yl)-5-(3-ethylsulfonylphenyl)pyrazin-2-amine
SMILESCCS(=O)(=O)c1cccc(-c2cnc(N)c(-c3nc4ccccc4o3)n2)c1
InChIInChI=1S/C19H16N4O3S/c1-2-27(24,25)13-7-5-6-12(10-13)15-11-21-18(20)17(22-15)19-23-14-8-3-4-9-16(14)26-19/h3-11H,2H2,1H3,(H2,20,21)
InChIKeyHKROFAAMYWOISO-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.33
Rot. Bonds4

About 3-(1,3-benzoxazol-2-yl)-5-(3-ethylsulfonylphenyl)pyrazin-2-amine

3-(1,3-benzoxazol-2-yl)-5-(3-ethylsulfonylphenyl)pyrazin-2-amine (PubChem CID 67388957) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-yl)-5-(3-ethylsulfonylphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-yl)-5-(3-ethylsulfonylphenyl)pyrazin-2-amine
PubChem CID67388957
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC Name3-(1,3-benzoxazol-2-yl)-5-(3-ethylsulfonylphenyl)pyrazin-2-amine
SMILESCCS(=O)(=O)c1cccc(-c2cnc(N)c(-c3nc4ccccc4o3)n2)c1
InChIInChI=1S/C19H16N4O3S/c1-2-27(24,25)13-7-5-6-12(10-13)15-11-21-18(20)17(22-15)19-23-14-8-3-4-9-16(14)26-19/h3-11H,2H2,1H3,(H2,20,21)
InChIKeyHKROFAAMYWOISO-UHFFFAOYSA-N
XLogP3.33
TPSA111.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[3-[5-amino-6-(1,3-benzoxazol-2-yl)pyrazin-2-yl]phenyl]methanesulfinic acid
CID 175272073
3-(1,3-benzoxazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyrazin-2-amine
CID 67388608
3-(1,3-benzoxazol-2-yl)pyrazin-2-amine
CID 67388669
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
3-(1-ethylimidazo[4,5-c]pyridin-2-yl)-5-(3-methylsulfonylphenyl)pyrazin-2-amine
CID 59852413
5-ethylsulfonyl-2-naphthalen-1-yl-1,3-benzoxazole
CID 53238599
3-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzamide
CID 59471656
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
CID 59472018
3-(5-amino-6-iodopyrazin-2-yl)benzenesulfonamide
CID 118002712
2-[3-methyl-6-(3-methylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 146735790
2-[6-(4-ethylsulfonylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 152905324
5-(4-tert-butylsulfonylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;molecular hydrogen
CID 161492468

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-yl)-5-(3-ethylsulfonylphenyl)pyrazin-2-amine?
The IUPAC name of 3-(1,3-benzoxazol-2-yl)-5-(3-ethylsulfonylphenyl)pyrazin-2-amine (CID 67388957) is 3-(1,3-benzoxazol-2-yl)-5-(3-ethylsulfonylphenyl)pyrazin-2-amine.
What is the SMILES notation for 3-(1,3-benzoxazol-2-yl)-5-(3-ethylsulfonylphenyl)pyrazin-2-amine?
The canonical SMILES for 3-(1,3-benzoxazol-2-yl)-5-(3-ethylsulfonylphenyl)pyrazin-2-amine is CCS(=O)(=O)c1cccc(-c2cnc(N)c(-c3nc4ccccc4o3)n2)c1.
What is the InChIKey of 3-(1,3-benzoxazol-2-yl)-5-(3-ethylsulfonylphenyl)pyrazin-2-amine?
The InChIKey is HKROFAAMYWOISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c1-2-27(24,25)13-7-5-6-12(10-13)15-11-21-18(20)17(22-15)19-23-14-8-3-4-9-16(14)26-19/h3-11H,2H2,1H3,(H2,20,21).
What are the key properties of 3-(1,3-benzoxazol-2-yl)-5-(3-ethylsulfonylphenyl)pyrazin-2-amine?
3-(1,3-benzoxazol-2-yl)-5-(3-ethylsulfonylphenyl)pyrazin-2-amine has a molecular weight of 380.43 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-yl)-5-(3-ethylsulfonylphenyl)pyrazin-2-amine is sourced from PubChem (CID 67388957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).