2-tert-butyl-3-phenyl-[1]benzofuro[2,3-b]pyrazine

C20H18N2O — CID 167353771

IUPAC2-tert-butyl-3-phenyl-[1]benzofuro[2,3-b]pyrazine
SMILESCC(C)(C)c1nc2c(nc1-c1ccccc1)oc1ccccc12
InChIInChI=1S/C20H18N2O/c1-20(2,3)18-16(13-9-5-4-6-10-13)22-19-17(21-18)14-11-7-8-12-15(14)23-19/h4-12H,1-3H3
InChIKeyQFOUMXAFYMFZGZ-UHFFFAOYSA-N
MW302.38 g/mol
LogP5.34
Rot. Bonds1

About 2-tert-butyl-3-phenyl-[1]benzofuro[2,3-b]pyrazine

2-tert-butyl-3-phenyl-[1]benzofuro[2,3-b]pyrazine (PubChem CID 167353771) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-tert-butyl-3-phenyl-[1]benzofuro[2,3-b]pyrazine.

Molecular Properties

Compound Name2-tert-butyl-3-phenyl-[1]benzofuro[2,3-b]pyrazine
PubChem CID167353771
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name2-tert-butyl-3-phenyl-[1]benzofuro[2,3-b]pyrazine
SMILESCC(C)(C)c1nc2c(nc1-c1ccccc1)oc1ccccc12
InChIInChI=1S/C20H18N2O/c1-20(2,3)18-16(13-9-5-4-6-10-13)22-19-17(21-18)14-11-7-8-12-15(14)23-19/h4-12H,1-3H3
InChIKeyQFOUMXAFYMFZGZ-UHFFFAOYSA-N
XLogP5.34
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.38
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-2-[4-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063449
2-tert-butyl-3-phenylquinoxaline
CID 621753
3-tert-butyl-2-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063488
2-chloro-3-(4-pyridin-2-ylphenyl)-[1]benzofuro[2,3-b]pyrazine
CID 137424596
4-tert-butyl-2-methyl-[1]benzofuro[2,3-d]pyrimidine
CID 130258482
2-chloro-3-dibenzofuran-2-yl-[1]benzofuro[2,3-b]pyrazine
CID 137433440
2-methyl-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 130266426
2-ethyl-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 142487813
2-phenyl-4-[4-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489550
2-phenyl-4-[4-[4-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489508
4-phenyl-2-[4-[4-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489670
2-chloro-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 118543898

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-phenyl-[1]benzofuro[2,3-b]pyrazine?
The IUPAC name of 2-tert-butyl-3-phenyl-[1]benzofuro[2,3-b]pyrazine (CID 167353771) is 2-tert-butyl-3-phenyl-[1]benzofuro[2,3-b]pyrazine.
What is the SMILES notation for 2-tert-butyl-3-phenyl-[1]benzofuro[2,3-b]pyrazine?
The canonical SMILES for 2-tert-butyl-3-phenyl-[1]benzofuro[2,3-b]pyrazine is CC(C)(C)c1nc2c(nc1-c1ccccc1)oc1ccccc12.
What is the InChIKey of 2-tert-butyl-3-phenyl-[1]benzofuro[2,3-b]pyrazine?
The InChIKey is QFOUMXAFYMFZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-20(2,3)18-16(13-9-5-4-6-10-13)22-19-17(21-18)14-11-7-8-12-15(14)23-19/h4-12H,1-3H3.
What are the key properties of 2-tert-butyl-3-phenyl-[1]benzofuro[2,3-b]pyrazine?
2-tert-butyl-3-phenyl-[1]benzofuro[2,3-b]pyrazine has a molecular weight of 302.38 g/mol, XLogP of 5.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-phenyl-[1]benzofuro[2,3-b]pyrazine is sourced from PubChem (CID 167353771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).