2-[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine

C13H17N3O3 — CID 61325495

IUPAC2-[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCOc1ccc(-c2nc(C(C)(C)N)no2)c(OC)c1
InChIInChI=1S/C13H17N3O3/c1-13(2,14)12-15-11(19-16-12)9-6-5-8(17-3)7-10(9)18-4/h5-7H,14H2,1-4H3
InChIKeyZGYAJEMGKGKTHF-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.95
Rot. Bonds4

About 2-[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine

2-[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 61325495) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name2-[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID61325495
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCOc1ccc(-c2nc(C(C)(C)N)no2)c(OC)c1
InChIInChI=1S/C13H17N3O3/c1-13(2,14)12-15-11(19-16-12)9-6-5-8(17-3)7-10(9)18-4/h5-7H,14H2,1-4H3
InChIKeyZGYAJEMGKGKTHF-UHFFFAOYSA-N
XLogP1.95
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 2-[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 61325495) is 2-[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 2-[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 2-[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is COc1ccc(-c2nc(C(C)(C)N)no2)c(OC)c1.
What is the InChIKey of 2-[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is ZGYAJEMGKGKTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-13(2,14)12-15-11(19-16-12)9-6-5-8(17-3)7-10(9)18-4/h5-7H,14H2,1-4H3.
What are the key properties of 2-[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
2-[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 263.30 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 61325495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).