5-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c][1,2,5]oxadiazole

C10H10N4O2 — CID 135592979

IUPAC5-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c][1,2,5]oxadiazole
SMILESCOc1ccc(C2Nc3nonc3N2)cc1
InChIInChI=1S/C10H10N4O2/c1-15-7-4-2-6(3-5-7)8-11-9-10(12-8)14-16-13-9/h2-5,8H,1H3,(H,11,13)(H,12,14)
InChIKeyFTIHEHSRZZAZGD-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.61
Rot. Bonds2

About 5-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c][1,2,5]oxadiazole

5-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c][1,2,5]oxadiazole (PubChem CID 135592979) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c][1,2,5]oxadiazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c][1,2,5]oxadiazole
PubChem CID135592979
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name5-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c][1,2,5]oxadiazole
SMILESCOc1ccc(C2Nc3nonc3N2)cc1
InChIInChI=1S/C10H10N4O2/c1-15-7-4-2-6(3-5-7)8-11-9-10(12-8)14-16-13-9/h2-5,8H,1H3,(H,11,13)(H,12,14)
InChIKeyFTIHEHSRZZAZGD-UHFFFAOYSA-N
XLogP1.61
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c][1,2,5]oxadiazole?
The IUPAC name of 5-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c][1,2,5]oxadiazole (CID 135592979) is 5-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c][1,2,5]oxadiazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c][1,2,5]oxadiazole?
The canonical SMILES for 5-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c][1,2,5]oxadiazole is COc1ccc(C2Nc3nonc3N2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c][1,2,5]oxadiazole?
The InChIKey is FTIHEHSRZZAZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-15-7-4-2-6(3-5-7)8-11-9-10(12-8)14-16-13-9/h2-5,8H,1H3,(H,11,13)(H,12,14).
What are the key properties of 5-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c][1,2,5]oxadiazole?
5-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c][1,2,5]oxadiazole has a molecular weight of 218.22 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c][1,2,5]oxadiazole is sourced from PubChem (CID 135592979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).