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

C15H27N3O2 — CID 99632793

IUPAC(3R)-N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESCCCCc1noc(CN[C@@H]2CC(C)(C)OC2(C)C)n1
InChIInChI=1S/C15H27N3O2/c1-6-7-8-12-17-13(19-18-12)10-16-11-9-14(2,3)20-15(11,4)5/h11,16H,6-10H2,1-5H3/t11-/m1/s1
InChIKeyRTMFGIZBKFXPPM-LLVKDONJSA-N
MW281.40 g/mol
LogP2.85
Rot. Bonds6

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

(3R)-N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 99632793) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is (3R)-N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound Name(3R)-N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID99632793
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name(3R)-N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESCCCCc1noc(CN[C@@H]2CC(C)(C)OC2(C)C)n1
InChIInChI=1S/C15H27N3O2/c1-6-7-8-12-17-13(19-18-12)10-16-11-9-14(2,3)20-15(11,4)5/h11,16H,6-10H2,1-5H3/t11-/m1/s1
InChIKeyRTMFGIZBKFXPPM-LLVKDONJSA-N
XLogP2.85
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of (3R)-N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine (CID 99632793) is (3R)-N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for (3R)-N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for (3R)-N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine is CCCCc1noc(CN[C@@H]2CC(C)(C)OC2(C)C)n1.
What is the InChIKey of (3R)-N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is RTMFGIZBKFXPPM-LLVKDONJSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-6-7-8-12-17-13(19-18-12)10-16-11-9-14(2,3)20-15(11,4)5/h11,16H,6-10H2,1-5H3/t11-/m1/s1.
What are the key properties of (3R)-N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine?
(3R)-N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 281.40 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 99632793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).