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

C16H23N3O2 — CID 62920689

IUPAC2,2-dimethyl-1-[5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCC(C)Oc1cccc(-c2nc(C(N)C(C)(C)C)no2)c1
InChIInChI=1S/C16H23N3O2/c1-10(2)20-12-8-6-7-11(9-12)15-18-14(19-21-15)13(17)16(3,4)5/h6-10,13H,17H2,1-5H3
InChIKeyVDGGGAMMNADZFX-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.57
Rot. Bonds4

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

2,2-dimethyl-1-[5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 62920689) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2,2-dimethyl-1-[5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-[5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID62920689
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2,2-dimethyl-1-[5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCC(C)Oc1cccc(-c2nc(C(N)C(C)(C)C)no2)c1
InChIInChI=1S/C16H23N3O2/c1-10(2)20-12-8-6-7-11(9-12)15-18-14(19-21-15)13(17)16(3,4)5/h6-10,13H,17H2,1-5H3
InChIKeyVDGGGAMMNADZFX-UHFFFAOYSA-N
XLogP3.57
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The IUPAC name of 2,2-dimethyl-1-[5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 62920689) is 2,2-dimethyl-1-[5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-[5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-[5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is CC(C)Oc1cccc(-c2nc(C(N)C(C)(C)C)no2)c1.
What is the InChIKey of 2,2-dimethyl-1-[5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is VDGGGAMMNADZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10(2)20-12-8-6-7-11(9-12)15-18-14(19-21-15)13(17)16(3,4)5/h6-10,13H,17H2,1-5H3.
What are the key properties of 2,2-dimethyl-1-[5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
2,2-dimethyl-1-[5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine has a molecular weight of 289.38 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is sourced from PubChem (CID 62920689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).