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

C13H23N3O2 — CID 124749636

IUPACN-methyl-1-[(2R)-oxan-2-yl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCC(C)c1noc(CN(C)C[C@H]2CCCCO2)n1
InChIInChI=1S/C13H23N3O2/c1-10(2)13-14-12(18-15-13)9-16(3)8-11-6-4-5-7-17-11/h10-11H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyAZOOEDIEWOJNJT-LLVKDONJSA-N
MW253.35 g/mol
LogP2.19
Rot. Bonds5

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

N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine (PubChem CID 124749636) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(2R)-oxan-2-yl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
PubChem CID124749636
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-methyl-1-[(2R)-oxan-2-yl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCC(C)c1noc(CN(C)C[C@H]2CCCCO2)n1
InChIInChI=1S/C13H23N3O2/c1-10(2)13-14-12(18-15-13)9-16(3)8-11-6-4-5-7-17-11/h10-11H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyAZOOEDIEWOJNJT-LLVKDONJSA-N
XLogP2.19
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine (CID 124749636) is N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine is CC(C)c1noc(CN(C)C[C@H]2CCCCO2)n1.
What is the InChIKey of N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The InChIKey is AZOOEDIEWOJNJT-LLVKDONJSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10(2)13-14-12(18-15-13)9-16(3)8-11-6-4-5-7-17-11/h10-11H,4-9H2,1-3H3/t11-/m1/s1.
What are the key properties of N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine has a molecular weight of 253.35 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 124749636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).