(3R,5R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol

C17H21N3O3 — CID 128974083

IUPAC(3R,5R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
SMILESCOc1ccccc1/C=C/CN1C[C@H](O)C[C@@H]1c1nc(C)no1
InChIInChI=1S/C17H21N3O3/c1-12-18-17(23-19-12)15-10-14(21)11-20(15)9-5-7-13-6-3-4-8-16(13)22-2/h3-8,14-15,21H,9-11H2,1-2H3/b7-5+/t14-,15-/m1/s1
InChIKeyULWIZKSBPCXMNG-IPKOWEFYSA-N
MW315.37 g/mol
LogP2.21
Rot. Bonds5

About (3R,5R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol

(3R,5R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (PubChem CID 128974083) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is (3R,5R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
PubChem CID128974083
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name(3R,5R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
SMILESCOc1ccccc1/C=C/CN1C[C@H](O)C[C@@H]1c1nc(C)no1
InChIInChI=1S/C17H21N3O3/c1-12-18-17(23-19-12)15-10-14(21)11-20(15)9-5-7-13-6-3-4-8-16(13)22-2/h3-8,14-15,21H,9-11H2,1-2H3/b7-5+/t14-,15-/m1/s1
InChIKeyULWIZKSBPCXMNG-IPKOWEFYSA-N
XLogP2.21
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 167968274
2-(2-chloro-6-methoxyphenyl)-1-[(2R,4S)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 128997360
(3R,5R)-1-[(2,5-dimethylfuran-3-yl)methyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 128968145
(3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]pyrrolidin-3-ol
CID 129331753
(Z)-3-(2-methoxyphenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]prop-2-en-1-one
CID 94570799
(3R,5R)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 128968551
3-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidin-2-yl]-1,2-oxazole
CID 167820392
(3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(quinolin-8-ylmethyl)pyrrolidin-3-ol
CID 128968818
5-[2-(2-methoxyphenyl)ethenyl]-3-methyl-1,2,4-oxadiazole
CID 4278176
5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-[(2,3,4-trimethoxyphenyl)methyl]pyrrolidin-3-ol
CID 74506554
(1S,4S)-2-(2-chlorophenyl)-5-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2,5-diazabicyclo[2.2.1]heptan-3-one
CID 42472124
(3S,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(piperidin-4-ylmethyl)pyrrolidin-3-ol;hydrochloride
CID 120858022

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The IUPAC name of (3R,5R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CID 128974083) is (3R,5R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol is COc1ccccc1/C=C/CN1C[C@H](O)C[C@@H]1c1nc(C)no1.
What is the InChIKey of (3R,5R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The InChIKey is ULWIZKSBPCXMNG-IPKOWEFYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12-18-17(23-19-12)15-10-14(21)11-20(15)9-5-7-13-6-3-4-8-16(13)22-2/h3-8,14-15,21H,9-11H2,1-2H3/b7-5+/t14-,15-/m1/s1.
What are the key properties of (3R,5R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
(3R,5R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol has a molecular weight of 315.37 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol is sourced from PubChem (CID 128974083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).