(2R,6R)-4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-6-phenylmorpholine

C18H25N3O2 — CID 100841460

IUPAC(2R,6R)-4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-6-phenylmorpholine
SMILESC[C@@H]1CN(Cc2nc(C(C)(C)C)no2)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C18H25N3O2/c1-13-10-21(11-15(22-13)14-8-6-5-7-9-14)12-16-19-17(20-23-16)18(2,3)4/h5-9,13,15H,10-12H2,1-4H3/t13-,15+/m1/s1
InChIKeyRAPCEJVPXHHRLU-HIFRSBDPSA-N
MW315.42 g/mol
LogP3.33
Rot. Bonds3

About (2R,6R)-4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-6-phenylmorpholine

(2R,6R)-4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-6-phenylmorpholine (PubChem CID 100841460) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (2R,6R)-4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-6-phenylmorpholine.

Molecular Properties

Compound Name(2R,6R)-4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-6-phenylmorpholine
PubChem CID100841460
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(2R,6R)-4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-6-phenylmorpholine
SMILESC[C@@H]1CN(Cc2nc(C(C)(C)C)no2)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C18H25N3O2/c1-13-10-21(11-15(22-13)14-8-6-5-7-9-14)12-16-19-17(20-23-16)18(2,3)4/h5-9,13,15H,10-12H2,1-4H3/t13-,15+/m1/s1
InChIKeyRAPCEJVPXHHRLU-HIFRSBDPSA-N
XLogP3.33
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R,6R)-4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-6-phenylmorpholine with MolForge

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

Launch Full Analysis

Related Compounds

(3S,4R)-4-benzyl-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
CID 136586170
1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine
CID 65250262
(2R,6S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-6-phenylmorpholine
CID 95584291
(2S)-4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-fluorophenyl)morpholine
CID 36875134
1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-methylpyrrolidin-3-amine
CID 103576788
1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpiperidin-4-ol
CID 139005584
2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]propanoic acid
CID 116684185
5-[(2-methyl-6-phenylmorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 120899230
2-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]acetic acid
CID 100637021
(2R,6R)-2-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-thiophen-3-ylmorpholine
CID 100894135
2-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-thiophen-3-ylmorpholine
CID 71919365
3-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]propanoic acid
CID 125130229

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-6-phenylmorpholine?
The IUPAC name of (2R,6R)-4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-6-phenylmorpholine (CID 100841460) is (2R,6R)-4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-6-phenylmorpholine.
What is the SMILES notation for (2R,6R)-4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-6-phenylmorpholine?
The canonical SMILES for (2R,6R)-4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-6-phenylmorpholine is C[C@@H]1CN(Cc2nc(C(C)(C)C)no2)C[C@@H](c2ccccc2)O1.
What is the InChIKey of (2R,6R)-4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-6-phenylmorpholine?
The InChIKey is RAPCEJVPXHHRLU-HIFRSBDPSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13-10-21(11-15(22-13)14-8-6-5-7-9-14)12-16-19-17(20-23-16)18(2,3)4/h5-9,13,15H,10-12H2,1-4H3/t13-,15+/m1/s1.
What are the key properties of (2R,6R)-4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-6-phenylmorpholine?
(2R,6R)-4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-6-phenylmorpholine has a molecular weight of 315.42 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-6-phenylmorpholine is sourced from PubChem (CID 100841460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).