(1R)-1-[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3,4-oxadiazol-2-yl]-2-phenylethanamine

C16H22N4O2 — CID 137338039

IUPAC(1R)-1-[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3,4-oxadiazol-2-yl]-2-phenylethanamine
SMILESC[C@@H]1CN(c2nnc([C@H](N)Cc3ccccc3)o2)C[C@H](C)O1
InChIInChI=1S/C16H22N4O2/c1-11-9-20(10-12(2)21-11)16-19-18-15(22-16)14(17)8-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10,17H2,1-2H3/t11-,12+,14-/m1/s1
InChIKeyLVSMDPVHGKNVGJ-MBNYWOFBSA-N
MW302.38 g/mol
LogP1.93
Rot. Bonds4

About (1R)-1-[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3,4-oxadiazol-2-yl]-2-phenylethanamine

(1R)-1-[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3,4-oxadiazol-2-yl]-2-phenylethanamine (PubChem CID 137338039) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (1R)-1-[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3,4-oxadiazol-2-yl]-2-phenylethanamine.

Molecular Properties

Compound Name(1R)-1-[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3,4-oxadiazol-2-yl]-2-phenylethanamine
PubChem CID137338039
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name(1R)-1-[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3,4-oxadiazol-2-yl]-2-phenylethanamine
SMILESC[C@@H]1CN(c2nnc([C@H](N)Cc3ccccc3)o2)C[C@H](C)O1
InChIInChI=1S/C16H22N4O2/c1-11-9-20(10-12(2)21-11)16-19-18-15(22-16)14(17)8-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10,17H2,1-2H3/t11-,12+,14-/m1/s1
InChIKeyLVSMDPVHGKNVGJ-MBNYWOFBSA-N
XLogP1.93
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1R)-1-[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3,4-oxadiazol-2-yl]-2-phenylethanamine 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

1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-phenylpropan-2-amine
CID 104959145
(1R)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-2-phenylethanamine
CID 6546261
(1R)-2-phenyl-1-[5-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine;dihydrochloride
CID 154917546
[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3,4-oxadiazol-2-yl]methanamine
CID 106965911
5-(2,6-dimethylmorpholin-4-yl)-1,3,4-oxadiazol-2-amine
CID 103436547
(2S)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one
CID 61148531
(1R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethanamine
CID 30072743
(1R)-1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-phenylethanamine
CID 42587067
N-[1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]propanamide
CID 53159526
(1S)-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-phenylethanamine
CID 937321
N-[(1S)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]-2,2-dimethylpropanamide
CID 95099631
2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide chloride
CID 53314688

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3,4-oxadiazol-2-yl]-2-phenylethanamine?
The IUPAC name of (1R)-1-[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3,4-oxadiazol-2-yl]-2-phenylethanamine (CID 137338039) is (1R)-1-[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3,4-oxadiazol-2-yl]-2-phenylethanamine.
What is the SMILES notation for (1R)-1-[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3,4-oxadiazol-2-yl]-2-phenylethanamine?
The canonical SMILES for (1R)-1-[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3,4-oxadiazol-2-yl]-2-phenylethanamine is C[C@@H]1CN(c2nnc([C@H](N)Cc3ccccc3)o2)C[C@H](C)O1.
What is the InChIKey of (1R)-1-[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3,4-oxadiazol-2-yl]-2-phenylethanamine?
The InChIKey is LVSMDPVHGKNVGJ-MBNYWOFBSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-11-9-20(10-12(2)21-11)16-19-18-15(22-16)14(17)8-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10,17H2,1-2H3/t11-,12+,14-/m1/s1.
What are the key properties of (1R)-1-[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3,4-oxadiazol-2-yl]-2-phenylethanamine?
(1R)-1-[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3,4-oxadiazol-2-yl]-2-phenylethanamine has a molecular weight of 302.38 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3,4-oxadiazol-2-yl]-2-phenylethanamine is sourced from PubChem (CID 137338039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).