2-methyl-N-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine

C13H23N3O2 — CID 54924495

IUPAC2-methyl-N-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
SMILESCC(C)(C)NCCc1nc(CC2CCCO2)no1
InChIInChI=1S/C13H23N3O2/c1-13(2,3)14-7-6-12-15-11(16-18-12)9-10-5-4-8-17-10/h10,14H,4-9H2,1-3H3
InChIKeyJNXAYNWHSYNGGK-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.72
Rot. Bonds5

About 2-methyl-N-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine

2-methyl-N-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine (PubChem CID 54924495) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-methyl-N-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
PubChem CID54924495
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-methyl-N-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
SMILESCC(C)(C)NCCc1nc(CC2CCCO2)no1
InChIInChI=1S/C13H23N3O2/c1-13(2,3)14-7-6-12-15-11(16-18-12)9-10-5-4-8-17-10/h10,14H,4-9H2,1-3H3
InChIKeyJNXAYNWHSYNGGK-UHFFFAOYSA-N
XLogP1.72
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine (CID 54924495) is 2-methyl-N-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine is CC(C)(C)NCCc1nc(CC2CCCO2)no1.
What is the InChIKey of 2-methyl-N-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine?
The InChIKey is JNXAYNWHSYNGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-13(2,3)14-7-6-12-15-11(16-18-12)9-10-5-4-8-17-10/h10,14H,4-9H2,1-3H3.
What are the key properties of 2-methyl-N-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine?
2-methyl-N-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine has a molecular weight of 253.35 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine is sourced from PubChem (CID 54924495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).