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

C17H21N3O2 — CID 95584291

IUPAC(2R,6S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-6-phenylmorpholine
SMILESC[C@@H]1CN(Cc2nnc(C3CC3)o2)C[C@H](c2ccccc2)O1
InChIInChI=1S/C17H21N3O2/c1-12-9-20(10-15(21-12)13-5-3-2-4-6-13)11-16-18-19-17(22-16)14-7-8-14/h2-6,12,14-15H,7-11H2,1H3/t12-,15-/m1/s1
InChIKeyGORSVHPEUNIHNQ-IUODEOHRSA-N
MW299.37 g/mol
LogP2.91
Rot. Bonds4

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

(2R,6S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-6-phenylmorpholine (PubChem CID 95584291) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2R,6S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-6-phenylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-6-phenylmorpholine
PubChem CID95584291
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(2R,6S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-6-phenylmorpholine
SMILESC[C@@H]1CN(Cc2nnc(C3CC3)o2)C[C@H](c2ccccc2)O1
InChIInChI=1S/C17H21N3O2/c1-12-9-20(10-15(21-12)13-5-3-2-4-6-13)11-16-18-19-17(22-16)14-7-8-14/h2-6,12,14-15H,7-11H2,1H3/t12-,15-/m1/s1
InChIKeyGORSVHPEUNIHNQ-IUODEOHRSA-N
XLogP2.91
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

(2R,6R)-4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-6-phenylmorpholine
CID 100841460
2-cyclopropyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 47520325
(2R)-2-(4-chlorophenyl)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]morpholine
CID 95555865
5-[(2-methyl-6-phenylmorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 120899230
(1S,5R)-6-benzyl-3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 72914690
2-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]acetic acid
CID 100637021
3-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]propanoic acid
CID 125130229
2-cyclopropyl-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 47704652
(2R,6R)-4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,6-dimethylmorpholine
CID 99778529
[6-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]methanol
CID 102935895
2-cyclopropyl-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 47520575
(2R,6R)-2-[5-(indazol-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-4,6-dimethylmorpholine
CID 167896478

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-6-phenylmorpholine?
The IUPAC name of (2R,6S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-6-phenylmorpholine (CID 95584291) is (2R,6S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-6-phenylmorpholine.
What is the SMILES notation for (2R,6S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-6-phenylmorpholine?
The canonical SMILES for (2R,6S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-6-phenylmorpholine is C[C@@H]1CN(Cc2nnc(C3CC3)o2)C[C@H](c2ccccc2)O1.
What is the InChIKey of (2R,6S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-6-phenylmorpholine?
The InChIKey is GORSVHPEUNIHNQ-IUODEOHRSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-9-20(10-15(21-12)13-5-3-2-4-6-13)11-16-18-19-17(22-16)14-7-8-14/h2-6,12,14-15H,7-11H2,1H3/t12-,15-/m1/s1.
What are the key properties of (2R,6S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-6-phenylmorpholine?
(2R,6S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-6-phenylmorpholine has a molecular weight of 299.37 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-6-phenylmorpholine is sourced from PubChem (CID 95584291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).