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

C17H16N4O3 — CID 137179894

IUPAC3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(3-methylpyrazin-2-yl)phenol
SMILESCc1nccnc1-c1ccc(O)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
InChIKeyMZXHSEPBZPGBTQ-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.00
Rot. Bonds5

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

3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(3-methylpyrazin-2-yl)phenol (PubChem CID 137179894) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(3-methylpyrazin-2-yl)phenol.

Molecular Properties

Compound Name3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(3-methylpyrazin-2-yl)phenol
PubChem CID137179894
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(3-methylpyrazin-2-yl)phenol
SMILESCc1nccnc1-c1ccc(O)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
InChIKeyMZXHSEPBZPGBTQ-UHFFFAOYSA-N
XLogP3.00
TPSA94.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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)phenol?
The IUPAC name of 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(3-methylpyrazin-2-yl)phenol (CID 137179894) is 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(3-methylpyrazin-2-yl)phenol.
What is the SMILES notation for 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(3-methylpyrazin-2-yl)phenol?
The canonical SMILES for 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(3-methylpyrazin-2-yl)phenol is Cc1nccnc1-c1ccc(O)cc1OCc1nc(C2CC2)no1.
What is the InChIKey of 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(3-methylpyrazin-2-yl)phenol?
The InChIKey is MZXHSEPBZPGBTQ-UHFFFAOYSA-N. 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.
What are the key properties of 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(3-methylpyrazin-2-yl)phenol?
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(3-methylpyrazin-2-yl)phenol has a molecular weight of 324.34 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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)phenol is sourced from PubChem (CID 137179894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).