(2S)-1-[(2-methoxyphenyl)methoxy]-3-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-2-ol

C18H25N3O4 — CID 97211625

IUPAC(2S)-1-[(2-methoxyphenyl)methoxy]-3-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-2-ol
SMILESCOc1ccccc1COC[C@@H](O)CN1CCC[C@@H]1c1noc(C)n1
InChIInChI=1S/C18H25N3O4/c1-13-19-18(20-25-13)16-7-5-9-21(16)10-15(22)12-24-11-14-6-3-4-8-17(14)23-2/h3-4,6,8,15-16,22H,5,7,9-12H2,1-2H3/t15-,16+/m0/s1
InChIKeyIUUASGBQYWMNHY-JKSUJKDBSA-N
MW347.42 g/mol
LogP2.10
Rot. Bonds8

About (2S)-1-[(2-methoxyphenyl)methoxy]-3-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-2-ol

(2S)-1-[(2-methoxyphenyl)methoxy]-3-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-2-ol (PubChem CID 97211625) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is (2S)-1-[(2-methoxyphenyl)methoxy]-3-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2-methoxyphenyl)methoxy]-3-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-2-ol
PubChem CID97211625
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name(2S)-1-[(2-methoxyphenyl)methoxy]-3-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-2-ol
SMILESCOc1ccccc1COC[C@@H](O)CN1CCC[C@@H]1c1noc(C)n1
InChIInChI=1S/C18H25N3O4/c1-13-19-18(20-25-13)16-7-5-9-21(16)10-15(22)12-24-11-14-6-3-4-8-17(14)23-2/h3-4,6,8,15-16,22H,5,7,9-12H2,1-2H3/t15-,16+/m0/s1
InChIKeyIUUASGBQYWMNHY-JKSUJKDBSA-N
XLogP2.10
TPSA80.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 124816258
4-[(2S)-2-hydroxy-3-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propoxy]benzonitrile
CID 97211601
(2S)-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 11923360
2-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 42926668
(3R)-1-[(2R)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]piperidin-3-ol
CID 100848872
1-(4-ethyl-1,4-diazepan-1-yl)-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 111102960
2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-[(2R)-1-(2-methylphenyl)propan-2-yl]acetamide
CID 129448861
1-[cyclobutyl(methyl)amino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 111488960
(2R)-1-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 100842036
(2S)-1-[(2-methoxyphenyl)methoxy]-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol
CID 94814851
N-[cyclopropyl(phenyl)methyl]-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide
CID 75369068
(2R)-1-amino-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 97180175

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2-methoxyphenyl)methoxy]-3-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[(2-methoxyphenyl)methoxy]-3-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-2-ol (CID 97211625) is (2S)-1-[(2-methoxyphenyl)methoxy]-3-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[(2-methoxyphenyl)methoxy]-3-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[(2-methoxyphenyl)methoxy]-3-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-2-ol is COc1ccccc1COC[C@@H](O)CN1CCC[C@@H]1c1noc(C)n1.
What is the InChIKey of (2S)-1-[(2-methoxyphenyl)methoxy]-3-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-2-ol?
The InChIKey is IUUASGBQYWMNHY-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-13-19-18(20-25-13)16-7-5-9-21(16)10-15(22)12-24-11-14-6-3-4-8-17(14)23-2/h3-4,6,8,15-16,22H,5,7,9-12H2,1-2H3/t15-,16+/m0/s1.
What are the key properties of (2S)-1-[(2-methoxyphenyl)methoxy]-3-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-2-ol?
(2S)-1-[(2-methoxyphenyl)methoxy]-3-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-2-ol has a molecular weight of 347.42 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2-methoxyphenyl)methoxy]-3-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-2-ol is sourced from PubChem (CID 97211625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).