4-methyl-4-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine

C16H21N3O2 — CID 66249155

IUPAC4-methyl-4-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCC(C)(c1ccccc1)c1noc(C2(C)COCC2N)n1
InChIInChI=1S/C16H21N3O2/c1-15(2,11-7-5-4-6-8-11)13-18-14(21-19-13)16(3)10-20-9-12(16)17/h4-8,12H,9-10,17H2,1-3H3
InChIKeyVZGSDLKVTJQLPD-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.01
Rot. Bonds3

About 4-methyl-4-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine

4-methyl-4-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (PubChem CID 66249155) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-methyl-4-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.

Molecular Properties

Compound Name4-methyl-4-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
PubChem CID66249155
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-methyl-4-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCC(C)(c1ccccc1)c1noc(C2(C)COCC2N)n1
InChIInChI=1S/C16H21N3O2/c1-15(2,11-7-5-4-6-8-11)13-18-14(21-19-13)16(3)10-20-9-12(16)17/h4-8,12H,9-10,17H2,1-3H3
InChIKeyVZGSDLKVTJQLPD-UHFFFAOYSA-N
XLogP2.01
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The IUPAC name of 4-methyl-4-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (CID 66249155) is 4-methyl-4-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.
What is the SMILES notation for 4-methyl-4-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The canonical SMILES for 4-methyl-4-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is CC(C)(c1ccccc1)c1noc(C2(C)COCC2N)n1.
What is the InChIKey of 4-methyl-4-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The InChIKey is VZGSDLKVTJQLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-15(2,11-7-5-4-6-8-11)13-18-14(21-19-13)16(3)10-20-9-12(16)17/h4-8,12H,9-10,17H2,1-3H3.
What are the key properties of 4-methyl-4-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
4-methyl-4-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine has a molecular weight of 287.36 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is sourced from PubChem (CID 66249155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).