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

C13H23N3O2 — CID 55048097

IUPAC2-methyl-N-[2-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
SMILESCC(C)(C)NCCc1nnc(C2CCCCO2)o1
InChIInChI=1S/C13H23N3O2/c1-13(2,3)14-8-7-11-15-16-12(18-11)10-6-4-5-9-17-10/h10,14H,4-9H2,1-3H3
InChIKeyKQEWTBSKKQFBJC-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.24
Rot. Bonds4

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

2-methyl-N-[2-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine (PubChem CID 55048097) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-methyl-N-[2-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
PubChem CID55048097
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-methyl-N-[2-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
SMILESCC(C)(C)NCCc1nnc(C2CCCCO2)o1
InChIInChI=1S/C13H23N3O2/c1-13(2,3)14-8-7-11-15-16-12(18-11)10-6-4-5-9-17-10/h10,14H,4-9H2,1-3H3
InChIKeyKQEWTBSKKQFBJC-UHFFFAOYSA-N
XLogP2.24
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.24
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-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine (CID 55048097) is 2-methyl-N-[2-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine is CC(C)(C)NCCc1nnc(C2CCCCO2)o1.
What is the InChIKey of 2-methyl-N-[2-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine?
The InChIKey is KQEWTBSKKQFBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-13(2,3)14-8-7-11-15-16-12(18-11)10-6-4-5-9-17-10/h10,14H,4-9H2,1-3H3.
What are the key properties of 2-methyl-N-[2-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine?
2-methyl-N-[2-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine has a molecular weight of 253.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine is sourced from PubChem (CID 55048097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).