(2R)-1-(2,5-dimethylphenoxy)-3-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-2-ol

C18H25N3O4 — CID 99714734

IUPAC(2R)-1-(2,5-dimethylphenoxy)-3-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-2-ol
SMILESCc1ccc(C)c(OC[C@H](O)CN2CCOC[C@@H]2c2nc(C)no2)c1
InChIInChI=1S/C18H25N3O4/c1-12-4-5-13(2)17(8-12)24-10-15(22)9-21-6-7-23-11-16(21)18-19-14(3)20-25-18/h4-5,8,15-16,22H,6-7,9-11H2,1-3H3/t15-,16-/m1/s1
InChIKeyXWLLZSHXWYBZPU-HZPDHXFCSA-N
MW347.42 g/mol
LogP1.81
Rot. Bonds6

About (2R)-1-(2,5-dimethylphenoxy)-3-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-2-ol

(2R)-1-(2,5-dimethylphenoxy)-3-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-2-ol (PubChem CID 99714734) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is (2R)-1-(2,5-dimethylphenoxy)-3-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2,5-dimethylphenoxy)-3-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-2-ol
PubChem CID99714734
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name(2R)-1-(2,5-dimethylphenoxy)-3-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-2-ol
SMILESCc1ccc(C)c(OC[C@H](O)CN2CCOC[C@@H]2c2nc(C)no2)c1
InChIInChI=1S/C18H25N3O4/c1-12-4-5-13(2)17(8-12)24-10-15(22)9-21-6-7-23-11-16(21)18-19-14(3)20-25-18/h4-5,8,15-16,22H,6-7,9-11H2,1-3H3/t15-,16-/m1/s1
InChIKeyXWLLZSHXWYBZPU-HZPDHXFCSA-N
XLogP1.81
TPSA80.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2,5-dimethylphenoxy)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-2-ol
CID 102554061
(2S)-1-(2,5-dimethylphenoxy)-3-[4-[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 51629005
2-(2,5-dimethylphenoxy)-1-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone
CID 129484397
1-(azepan-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 4320215
N-(3,5-dimethylphenyl)-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]acetamide
CID 99777442
4-[(2-ethylpyrazol-3-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine
CID 91650718
1-(2,4-dichlorophenoxy)-3-(3-methylmorpholin-4-yl)propan-2-ol
CID 110888294
(3S)-1-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]pyrrolidin-3-ol
CID 111123240
3-fluoro-5-[[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]phenol
CID 99825863
(2S)-1-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-3-phenoxypropan-2-ol
CID 129336869
(2S)-1-chloro-3-(2,5-dimethylphenoxy)propan-2-ol
CID 101343601
(3S)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine
CID 99777440

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,5-dimethylphenoxy)-3-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-2-ol?
The IUPAC name of (2R)-1-(2,5-dimethylphenoxy)-3-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-2-ol (CID 99714734) is (2R)-1-(2,5-dimethylphenoxy)-3-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-(2,5-dimethylphenoxy)-3-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-2-ol?
The canonical SMILES for (2R)-1-(2,5-dimethylphenoxy)-3-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-2-ol is Cc1ccc(C)c(OC[C@H](O)CN2CCOC[C@@H]2c2nc(C)no2)c1.
What is the InChIKey of (2R)-1-(2,5-dimethylphenoxy)-3-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-2-ol?
The InChIKey is XWLLZSHXWYBZPU-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-12-4-5-13(2)17(8-12)24-10-15(22)9-21-6-7-23-11-16(21)18-19-14(3)20-25-18/h4-5,8,15-16,22H,6-7,9-11H2,1-3H3/t15-,16-/m1/s1.
What are the key properties of (2R)-1-(2,5-dimethylphenoxy)-3-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-2-ol?
(2R)-1-(2,5-dimethylphenoxy)-3-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-2-ol has a molecular weight of 347.42 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,5-dimethylphenoxy)-3-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-2-ol is sourced from PubChem (CID 99714734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).