5-methoxy-6-[(4-pentylphenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine

C17H20N4O2 — CID 159423102

IUPAC5-methoxy-6-[(4-pentylphenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine
SMILESCCCCCc1ccc(Cc2nc3nonc3nc2OC)cc1
InChIInChI=1S/C17H20N4O2/c1-3-4-5-6-12-7-9-13(10-8-12)11-14-17(22-2)19-16-15(18-14)20-23-21-16/h7-10H,3-6,11H2,1-2H3
InChIKeyYFBRKMAPTJNVJL-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.34
Rot. Bonds7

About 5-methoxy-6-[(4-pentylphenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine

5-methoxy-6-[(4-pentylphenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine (PubChem CID 159423102) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 5-methoxy-6-[(4-pentylphenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name5-methoxy-6-[(4-pentylphenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine
PubChem CID159423102
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name5-methoxy-6-[(4-pentylphenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine
SMILESCCCCCc1ccc(Cc2nc3nonc3nc2OC)cc1
InChIInChI=1S/C17H20N4O2/c1-3-4-5-6-12-7-9-13(10-8-12)11-14-17(22-2)19-16-15(18-14)20-23-21-16/h7-10H,3-6,11H2,1-2H3
InChIKeyYFBRKMAPTJNVJL-UHFFFAOYSA-N
XLogP3.34
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-butoxy-6-[(4-methylphenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine
CID 157453171
1-ethyl-4-octacosylbenzene
CID 175218304
CID 59959489
CID 59959489
1,4-bis[(4-butylphenyl)methyl]benzene
CID 58021495
1-butyl-4-[(4-butylphenyl)methyl]benzene
CID 57156341
1-butyl-4-nonylbenzene
CID 59545302
1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-bis[4-(4-methoxyphenyl)phenyl]benzene
CID 145196769
1-methoxy-4-(5-pentoxypentyl)benzene
CID 54554044
1-methoxy-4-[2-(4-pentylphenyl)ethynyl]benzene
CID 613607
1-[(E)-dec-4-enyl]-4-methoxybenzene
CID 11288075
6-[[4-pentyl-2-(trifluoromethoxy)phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one
CID 157428413
(4-decylphenyl)-trimethylsilane
CID 69331769

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-[(4-pentylphenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine?
The IUPAC name of 5-methoxy-6-[(4-pentylphenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine (CID 159423102) is 5-methoxy-6-[(4-pentylphenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine.
What is the SMILES notation for 5-methoxy-6-[(4-pentylphenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine?
The canonical SMILES for 5-methoxy-6-[(4-pentylphenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine is CCCCCc1ccc(Cc2nc3nonc3nc2OC)cc1.
What is the InChIKey of 5-methoxy-6-[(4-pentylphenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine?
The InChIKey is YFBRKMAPTJNVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-3-4-5-6-12-7-9-13(10-8-12)11-14-17(22-2)19-16-15(18-14)20-23-21-16/h7-10H,3-6,11H2,1-2H3.
What are the key properties of 5-methoxy-6-[(4-pentylphenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine?
5-methoxy-6-[(4-pentylphenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine has a molecular weight of 312.37 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-[(4-pentylphenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine is sourced from PubChem (CID 159423102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).