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

C16H23N3O2 — CID 62920036

IUPAC2,2-dimethyl-1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCCCOc1cccc(-c2nc(C(N)C(C)(C)C)no2)c1
InChIInChI=1S/C16H23N3O2/c1-5-9-20-12-8-6-7-11(10-12)15-18-14(19-21-15)13(17)16(2,3)4/h6-8,10,13H,5,9,17H2,1-4H3
InChIKeyJDBRUCITQHDMDM-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.57
Rot. Bonds5

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

2,2-dimethyl-1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 62920036) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2,2-dimethyl-1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID62920036
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2,2-dimethyl-1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCCCOc1cccc(-c2nc(C(N)C(C)(C)C)no2)c1
InChIInChI=1S/C16H23N3O2/c1-5-9-20-12-8-6-7-11(10-12)15-18-14(19-21-15)13(17)16(2,3)4/h6-8,10,13H,5,9,17H2,1-4H3
InChIKeyJDBRUCITQHDMDM-UHFFFAOYSA-N
XLogP3.57
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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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Related Compounds

N',N'-dimethyl-1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635367
2,2-dimethyl-1-[5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62920689
3-bromo-5-(3-propoxyphenyl)-1,2,4-oxadiazole
CID 112571624
3-(4-methylphenyl)-5-(3-propoxyphenyl)-1,2,4-oxadiazole
CID 46300212
1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 62920379
1-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61326230
1-[5-(2-bromo-3-methylphenyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 107983727
1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
CID 104633731
1-[5-(4-butoxyphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61326232
2,2-dimethyl-1-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61323826
1-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 61323620
1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
CID 61325023

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The IUPAC name of 2,2-dimethyl-1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 62920036) is 2,2-dimethyl-1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is CCCOc1cccc(-c2nc(C(N)C(C)(C)C)no2)c1.
What is the InChIKey of 2,2-dimethyl-1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is JDBRUCITQHDMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-5-9-20-12-8-6-7-11(10-12)15-18-14(19-21-15)13(17)16(2,3)4/h6-8,10,13H,5,9,17H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
2,2-dimethyl-1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine has a molecular weight of 289.38 g/mol, XLogP of 3.57, 5 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-propoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is sourced from PubChem (CID 62920036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).