(2R,3S)-4-(1,3-benzodioxol-4-ylmethyl)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine

C16H19N3O4 — CID 154757060

IUPAC(2R,3S)-4-(1,3-benzodioxol-4-ylmethyl)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine
SMILESCc1noc([C@@H]2[C@@H](C)OCCN2Cc2cccc3c2OCO3)n1
InChIInChI=1S/C16H19N3O4/c1-10-14(16-17-11(2)18-23-16)19(6-7-20-10)8-12-4-3-5-13-15(12)22-9-21-13/h3-5,10,14H,6-9H2,1-2H3/t10-,14+/m1/s1
InChIKeyWYHURRRXKUQXNM-YGRLFVJLSA-N
MW317.35 g/mol
LogP2.07
Rot. Bonds3

About (2R,3S)-4-(1,3-benzodioxol-4-ylmethyl)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine

(2R,3S)-4-(1,3-benzodioxol-4-ylmethyl)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine (PubChem CID 154757060) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is (2R,3S)-4-(1,3-benzodioxol-4-ylmethyl)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine.

Molecular Properties

Compound Name(2R,3S)-4-(1,3-benzodioxol-4-ylmethyl)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine
PubChem CID154757060
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name(2R,3S)-4-(1,3-benzodioxol-4-ylmethyl)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine
SMILESCc1noc([C@@H]2[C@@H](C)OCCN2Cc2cccc3c2OCO3)n1
InChIInChI=1S/C16H19N3O4/c1-10-14(16-17-11(2)18-23-16)19(6-7-20-10)8-12-4-3-5-13-15(12)22-9-21-13/h3-5,10,14H,6-9H2,1-2H3/t10-,14+/m1/s1
InChIKeyWYHURRRXKUQXNM-YGRLFVJLSA-N
XLogP2.07
TPSA69.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2R,3S)-4-(1,3-benzodioxol-4-ylmethyl)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4-(1,3-benzodioxol-4-ylmethyl)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine?
The IUPAC name of (2R,3S)-4-(1,3-benzodioxol-4-ylmethyl)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine (CID 154757060) is (2R,3S)-4-(1,3-benzodioxol-4-ylmethyl)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine.
What is the SMILES notation for (2R,3S)-4-(1,3-benzodioxol-4-ylmethyl)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine?
The canonical SMILES for (2R,3S)-4-(1,3-benzodioxol-4-ylmethyl)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine is Cc1noc([C@@H]2[C@@H](C)OCCN2Cc2cccc3c2OCO3)n1.
What is the InChIKey of (2R,3S)-4-(1,3-benzodioxol-4-ylmethyl)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine?
The InChIKey is WYHURRRXKUQXNM-YGRLFVJLSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-10-14(16-17-11(2)18-23-16)19(6-7-20-10)8-12-4-3-5-13-15(12)22-9-21-13/h3-5,10,14H,6-9H2,1-2H3/t10-,14+/m1/s1.
What are the key properties of (2R,3S)-4-(1,3-benzodioxol-4-ylmethyl)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine?
(2R,3S)-4-(1,3-benzodioxol-4-ylmethyl)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine has a molecular weight of 317.35 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4-(1,3-benzodioxol-4-ylmethyl)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine is sourced from PubChem (CID 154757060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).