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

C14H17N3O3 — CID 106812934

IUPAC(3S,5R)-5-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCOC(c1ccccc1)c1noc([C@H]2C[C@H](O)CN2)n1
InChIInChI=1S/C14H17N3O3/c1-19-12(9-5-3-2-4-6-9)13-16-14(20-17-13)11-7-10(18)8-15-11/h2-6,10-12,15,18H,7-8H2,1H3/t10-,11+,12?/m0/s1
InChIKeyONGYNGPEDBKVME-WIKAKEFZSA-N
MW275.31 g/mol
LogP1.20
Rot. Bonds4

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

(3S,5R)-5-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 106812934) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is (3S,5R)-5-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5R)-5-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
PubChem CID106812934
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name(3S,5R)-5-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCOC(c1ccccc1)c1noc([C@H]2C[C@H](O)CN2)n1
InChIInChI=1S/C14H17N3O3/c1-19-12(9-5-3-2-4-6-9)13-16-14(20-17-13)11-7-10(18)8-15-11/h2-6,10-12,15,18H,7-8H2,1H3/t10-,11+,12?/m0/s1
InChIKeyONGYNGPEDBKVME-WIKAKEFZSA-N
XLogP1.20
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5S)-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104911085
(3S,5R)-5-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106812910
(5S)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104911082
(3S,5R)-5-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106812750
(3S,5S)-5-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912535
(5S)-5-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911302
(3S,5S)-5-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912338
(3R,5R)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912169
(3R,5R)-5-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912280
(3R,5S)-5-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911151
(3S,5S)-5-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104912291
5-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 114350993

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of (3S,5R)-5-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 106812934) is (3S,5R)-5-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3S,5R)-5-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for (3S,5R)-5-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is COC(c1ccccc1)c1noc([C@H]2C[C@H](O)CN2)n1.
What is the InChIKey of (3S,5R)-5-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is ONGYNGPEDBKVME-WIKAKEFZSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-19-12(9-5-3-2-4-6-9)13-16-14(20-17-13)11-7-10(18)8-15-11/h2-6,10-12,15,18H,7-8H2,1H3/t10-,11+,12?/m0/s1.
What are the key properties of (3S,5R)-5-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
(3S,5R)-5-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 275.31 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 106812934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).