(2R,6S)-2-butyl-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-propan-2-ylmorpholine

C16H29N3O3 — CID 155509779

IUPAC(2R,6S)-2-butyl-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-propan-2-ylmorpholine
SMILESCCCC[C@@H]1CN(Cc2nc(COC)no2)CC(C(C)C)O1
InChIInChI=1S/C16H29N3O3/c1-5-6-7-13-8-19(9-14(21-13)12(2)3)10-16-17-15(11-20-4)18-22-16/h12-14H,5-11H2,1-4H3/t13-,14?/m1/s1
InChIKeyRYDUYJXEHAELGK-KWCCSABGSA-N
MW311.43 g/mol
LogP2.63
Rot. Bonds8

About (2R,6S)-2-butyl-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-propan-2-ylmorpholine

(2R,6S)-2-butyl-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-propan-2-ylmorpholine (PubChem CID 155509779) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is (2R,6S)-2-butyl-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-propan-2-ylmorpholine.

Molecular Properties

Compound Name(2R,6S)-2-butyl-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-propan-2-ylmorpholine
PubChem CID155509779
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name(2R,6S)-2-butyl-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-propan-2-ylmorpholine
SMILESCCCC[C@@H]1CN(Cc2nc(COC)no2)CC(C(C)C)O1
InChIInChI=1S/C16H29N3O3/c1-5-6-7-13-8-19(9-14(21-13)12(2)3)10-16-17-15(11-20-4)18-22-16/h12-14H,5-11H2,1-4H3/t13-,14?/m1/s1
InChIKeyRYDUYJXEHAELGK-KWCCSABGSA-N
XLogP2.63
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2-butyl-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-propan-2-ylmorpholine?
The IUPAC name of (2R,6S)-2-butyl-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-propan-2-ylmorpholine (CID 155509779) is (2R,6S)-2-butyl-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-propan-2-ylmorpholine.
What is the SMILES notation for (2R,6S)-2-butyl-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-propan-2-ylmorpholine?
The canonical SMILES for (2R,6S)-2-butyl-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-propan-2-ylmorpholine is CCCC[C@@H]1CN(Cc2nc(COC)no2)CC(C(C)C)O1.
What is the InChIKey of (2R,6S)-2-butyl-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-propan-2-ylmorpholine?
The InChIKey is RYDUYJXEHAELGK-KWCCSABGSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-5-6-7-13-8-19(9-14(21-13)12(2)3)10-16-17-15(11-20-4)18-22-16/h12-14H,5-11H2,1-4H3/t13-,14?/m1/s1.
What are the key properties of (2R,6S)-2-butyl-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-propan-2-ylmorpholine?
(2R,6S)-2-butyl-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-propan-2-ylmorpholine has a molecular weight of 311.43 g/mol, XLogP of 2.63, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2-butyl-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-propan-2-ylmorpholine is sourced from PubChem (CID 155509779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).