1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4,4-dimethylpentan-2-amine

C15H29N3O2 — CID 116703950

IUPAC1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4,4-dimethylpentan-2-amine
SMILESCOC(c1noc(CC(N)CC(C)(C)C)n1)C(C)(C)C
InChIInChI=1S/C15H29N3O2/c1-14(2,3)9-10(16)8-11-17-13(18-20-11)12(19-7)15(4,5)6/h10,12H,8-9,16H2,1-7H3
InChIKeyQPTNUQCTBWTUQT-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.11
Rot. Bonds5

About 1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4,4-dimethylpentan-2-amine

1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4,4-dimethylpentan-2-amine (PubChem CID 116703950) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4,4-dimethylpentan-2-amine
PubChem CID116703950
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4,4-dimethylpentan-2-amine
SMILESCOC(c1noc(CC(N)CC(C)(C)C)n1)C(C)(C)C
InChIInChI=1S/C15H29N3O2/c1-14(2,3)9-10(16)8-11-17-13(18-20-11)12(19-7)15(4,5)6/h10,12H,8-9,16H2,1-7H3
InChIKeyQPTNUQCTBWTUQT-UHFFFAOYSA-N
XLogP3.11
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4,4-dimethylpentan-2-amine?
The IUPAC name of 1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4,4-dimethylpentan-2-amine (CID 116703950) is 1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4,4-dimethylpentan-2-amine?
The canonical SMILES for 1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4,4-dimethylpentan-2-amine is COC(c1noc(CC(N)CC(C)(C)C)n1)C(C)(C)C.
What is the InChIKey of 1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4,4-dimethylpentan-2-amine?
The InChIKey is QPTNUQCTBWTUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-14(2,3)9-10(16)8-11-17-13(18-20-11)12(19-7)15(4,5)6/h10,12H,8-9,16H2,1-7H3.
What are the key properties of 1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4,4-dimethylpentan-2-amine?
1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4,4-dimethylpentan-2-amine has a molecular weight of 283.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4,4-dimethylpentan-2-amine is sourced from PubChem (CID 116703950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).