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

C14H25N3O3 — CID 99632953

IUPAC(3S)-N-[[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESCO[C@@H](C)c1noc(CN[C@H]2CC(C)(C)OC2(C)C)n1
InChIInChI=1S/C14H25N3O3/c1-9(18-6)12-16-11(19-17-12)8-15-10-7-13(2,3)20-14(10,4)5/h9-10,15H,7-8H2,1-6H3/t9-,10-/m0/s1
InChIKeyQOJZUWQVUZKHMY-UWVGGRQHSA-N
MW283.37 g/mol
LogP2.21
Rot. Bonds5

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

(3S)-N-[[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 99632953) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is (3S)-N-[[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound Name(3S)-N-[[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID99632953
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name(3S)-N-[[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESCO[C@@H](C)c1noc(CN[C@H]2CC(C)(C)OC2(C)C)n1
InChIInChI=1S/C14H25N3O3/c1-9(18-6)12-16-11(19-17-12)8-15-10-7-13(2,3)20-14(10,4)5/h9-10,15H,7-8H2,1-6H3/t9-,10-/m0/s1
InChIKeyQOJZUWQVUZKHMY-UWVGGRQHSA-N
XLogP2.21
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of (3S)-N-[[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine (CID 99632953) is (3S)-N-[[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for (3S)-N-[[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for (3S)-N-[[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine is CO[C@@H](C)c1noc(CN[C@H]2CC(C)(C)OC2(C)C)n1.
What is the InChIKey of (3S)-N-[[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is QOJZUWQVUZKHMY-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-9(18-6)12-16-11(19-17-12)8-15-10-7-13(2,3)20-14(10,4)5/h9-10,15H,7-8H2,1-6H3/t9-,10-/m0/s1.
What are the key properties of (3S)-N-[[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine?
(3S)-N-[[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 283.37 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 99632953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).