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

C14H17N3O2 — CID 66249734

IUPAC4-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCc1ccc(-c2noc(C3(C)COCC3N)n2)cc1
InChIInChI=1S/C14H17N3O2/c1-9-3-5-10(6-4-9)12-16-13(19-17-12)14(2)8-18-7-11(14)15/h3-6,11H,7-8,15H2,1-2H3
InChIKeyNOSKXQXGPBDGGE-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.66
Rot. Bonds2

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

4-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (PubChem CID 66249734) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.

Molecular Properties

Compound Name4-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
PubChem CID66249734
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCc1ccc(-c2noc(C3(C)COCC3N)n2)cc1
InChIInChI=1S/C14H17N3O2/c1-9-3-5-10(6-4-9)12-16-13(19-17-12)14(2)8-18-7-11(14)15/h3-6,11H,7-8,15H2,1-2H3
InChIKeyNOSKXQXGPBDGGE-UHFFFAOYSA-N
XLogP1.66
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.66
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-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The IUPAC name of 4-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (CID 66249734) is 4-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.
What is the SMILES notation for 4-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The canonical SMILES for 4-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is Cc1ccc(-c2noc(C3(C)COCC3N)n2)cc1.
What is the InChIKey of 4-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The InChIKey is NOSKXQXGPBDGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-3-5-10(6-4-9)12-16-13(19-17-12)14(2)8-18-7-11(14)15/h3-6,11H,7-8,15H2,1-2H3.
What are the key properties of 4-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
4-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine has a molecular weight of 259.31 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is sourced from PubChem (CID 66249734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).