[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(3-methylpyrazin-2-yl)phenyl]oxidanium

C17H17N4O3+ — CID 144623451

IUPAC[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(3-methylpyrazin-2-yl)phenyl]oxidanium
SMILESCc1nccnc1-c1ccc([OH2+])cc1OCc1nc(C2CC2)no1
InChIInChI=1S/C17H16N4O3/c1-10-16(19-7-6-18-10)13-5-4-12(22)8-14(13)23-9-15-20-17(21-24-15)11-2-3-11/h4-8,11,22H,2-3,9H2,1H3/p+1
InChIKeyMZXHSEPBZPGBTQ-UHFFFAOYSA-O
MW325.35 g/mol
LogP2.73
Rot. Bonds5

About [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(3-methylpyrazin-2-yl)phenyl]oxidanium

[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(3-methylpyrazin-2-yl)phenyl]oxidanium (PubChem CID 144623451) has the molecular formula C17H17N4O3+ and a molecular weight of 325.35 g/mol. Its IUPAC name is [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(3-methylpyrazin-2-yl)phenyl]oxidanium.

Molecular Properties

Compound Name[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(3-methylpyrazin-2-yl)phenyl]oxidanium
PubChem CID144623451
Molecular FormulaC17H17N4O3+
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC Name[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(3-methylpyrazin-2-yl)phenyl]oxidanium
SMILESCc1nccnc1-c1ccc([OH2+])cc1OCc1nc(C2CC2)no1
InChIInChI=1S/C17H16N4O3/c1-10-16(19-7-6-18-10)13-5-4-12(22)8-14(13)23-9-15-20-17(21-24-15)11-2-3-11/h4-8,11,22H,2-3,9H2,1H3/p+1
InChIKeyMZXHSEPBZPGBTQ-UHFFFAOYSA-O
XLogP2.73
TPSA96.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(3-methylpyrazin-2-yl)phenyl]oxidanium?
The IUPAC name of [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(3-methylpyrazin-2-yl)phenyl]oxidanium (CID 144623451) is [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(3-methylpyrazin-2-yl)phenyl]oxidanium.
What is the SMILES notation for [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(3-methylpyrazin-2-yl)phenyl]oxidanium?
The canonical SMILES for [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(3-methylpyrazin-2-yl)phenyl]oxidanium is Cc1nccnc1-c1ccc([OH2+])cc1OCc1nc(C2CC2)no1.
What is the InChIKey of [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(3-methylpyrazin-2-yl)phenyl]oxidanium?
The InChIKey is MZXHSEPBZPGBTQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H16N4O3/c1-10-16(19-7-6-18-10)13-5-4-12(22)8-14(13)23-9-15-20-17(21-24-15)11-2-3-11/h4-8,11,22H,2-3,9H2,1H3/p+1.
What are the key properties of [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(3-methylpyrazin-2-yl)phenyl]oxidanium?
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(3-methylpyrazin-2-yl)phenyl]oxidanium has a molecular weight of 325.35 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(3-methylpyrazin-2-yl)phenyl]oxidanium is sourced from PubChem (CID 144623451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).