(5-amino-1,2,4-oxadiazol-3-yl)-(4-methoxyphenyl)methanone

C10H9N3O3 — CID 3040207

IUPAC(5-amino-1,2,4-oxadiazol-3-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2noc(N)n2)cc1
InChIInChI=1S/C10H9N3O3/c1-15-7-4-2-6(3-5-7)8(14)9-12-10(11)16-13-9/h2-5H,1H3,(H2,11,12,13)
InChIKeyHIRZWEIDVZCKJV-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.89
Rot. Bonds3

About (5-amino-1,2,4-oxadiazol-3-yl)-(4-methoxyphenyl)methanone

(5-amino-1,2,4-oxadiazol-3-yl)-(4-methoxyphenyl)methanone (PubChem CID 3040207) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is (5-amino-1,2,4-oxadiazol-3-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-amino-1,2,4-oxadiazol-3-yl)-(4-methoxyphenyl)methanone
PubChem CID3040207
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name(5-amino-1,2,4-oxadiazol-3-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2noc(N)n2)cc1
InChIInChI=1S/C10H9N3O3/c1-15-7-4-2-6(3-5-7)8(14)9-12-10(11)16-13-9/h2-5H,1H3,(H2,11,12,13)
InChIKeyHIRZWEIDVZCKJV-UHFFFAOYSA-N
XLogP0.89
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-amino-1,2,4-oxadiazol-3-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (5-amino-1,2,4-oxadiazol-3-yl)-(4-methoxyphenyl)methanone (CID 3040207) is (5-amino-1,2,4-oxadiazol-3-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (5-amino-1,2,4-oxadiazol-3-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (5-amino-1,2,4-oxadiazol-3-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2noc(N)n2)cc1.
What is the InChIKey of (5-amino-1,2,4-oxadiazol-3-yl)-(4-methoxyphenyl)methanone?
The InChIKey is HIRZWEIDVZCKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c1-15-7-4-2-6(3-5-7)8(14)9-12-10(11)16-13-9/h2-5H,1H3,(H2,11,12,13).
What are the key properties of (5-amino-1,2,4-oxadiazol-3-yl)-(4-methoxyphenyl)methanone?
(5-amino-1,2,4-oxadiazol-3-yl)-(4-methoxyphenyl)methanone has a molecular weight of 219.20 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1,2,4-oxadiazol-3-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 3040207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).