(3S)-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine

C13H23N3O3 — CID 99827495

IUPAC(3S)-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESCOCc1nc(CN[C@H]2CC(C)(C)OC2(C)C)no1
InChIInChI=1S/C13H23N3O3/c1-12(2)6-9(13(3,4)19-12)14-7-10-15-11(8-17-5)18-16-10/h9,14H,6-8H2,1-5H3/t9-/m0/s1
InChIKeyDXJJFAVTGDREOS-VIFPVBQESA-N
MW269.34 g/mol
LogP1.65
Rot. Bonds5

About (3S)-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine

(3S)-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 99827495) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is (3S)-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound Name(3S)-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID99827495
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name(3S)-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESCOCc1nc(CN[C@H]2CC(C)(C)OC2(C)C)no1
InChIInChI=1S/C13H23N3O3/c1-12(2)6-9(13(3,4)19-12)14-7-10-15-11(8-17-5)18-16-10/h9,14H,6-8H2,1-5H3/t9-/m0/s1
InChIKeyDXJJFAVTGDREOS-VIFPVBQESA-N
XLogP1.65
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of (3S)-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine (CID 99827495) is (3S)-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for (3S)-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for (3S)-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine is COCc1nc(CN[C@H]2CC(C)(C)OC2(C)C)no1.
What is the InChIKey of (3S)-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is DXJJFAVTGDREOS-VIFPVBQESA-N. The full InChI is InChI=1S/C13H23N3O3/c1-12(2)6-9(13(3,4)19-12)14-7-10-15-11(8-17-5)18-16-10/h9,14H,6-8H2,1-5H3/t9-/m0/s1.
What are the key properties of (3S)-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine?
(3S)-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 269.34 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 99827495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).