3-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidin-2-yl]-1,2-oxazole

C17H20N2O2 — CID 167820392

IUPAC3-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidin-2-yl]-1,2-oxazole
SMILESCOc1ccccc1/C=C/CN1CCC[C@@H]1c1ccon1
InChIInChI=1S/C17H20N2O2/c1-20-17-9-3-2-6-14(17)7-4-11-19-12-5-8-16(19)15-10-13-21-18-15/h2-4,6-7,9-10,13,16H,5,8,11-12H2,1H3/b7-4+/t16-/m1/s1
InChIKeyKZIHTOQVFMYGNR-IEXSPKMKSA-N
MW284.36 g/mol
LogP3.53
Rot. Bonds5

About 3-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidin-2-yl]-1,2-oxazole

3-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidin-2-yl]-1,2-oxazole (PubChem CID 167820392) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidin-2-yl]-1,2-oxazole
PubChem CID167820392
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidin-2-yl]-1,2-oxazole
SMILESCOc1ccccc1/C=C/CN1CCC[C@@H]1c1ccon1
InChIInChI=1S/C17H20N2O2/c1-20-17-9-3-2-6-14(17)7-4-11-19-12-5-8-16(19)15-10-13-21-18-15/h2-4,6-7,9-10,13,16H,5,8,11-12H2,1H3/b7-4+/t16-/m1/s1
InChIKeyKZIHTOQVFMYGNR-IEXSPKMKSA-N
XLogP3.53
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2S)-1-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 154794045
[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-2-yl]methanol
CID 6293793
(3R,8aR)-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 92603759
(4S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]azepan-4-ol
CID 129487837
(1S,8aS)-1-cyclohexyl-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 124824404
(3R,5R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 128974083
5-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 167968274
(3S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidine-3-carboxamide
CID 30981483
(3aR,6S,7aS)-3a,6-dimethoxy-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,4,5,6,7,7a-hexahydro-2H-indole
CID 118763436
(2R)-1-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]azetidin-3-yl]-2-methylpiperidine
CID 95707927
(3S,4S)-3-(hydroxymethyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-ol
CID 157011117
1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781433

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidin-2-yl]-1,2-oxazole?
The IUPAC name of 3-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidin-2-yl]-1,2-oxazole (CID 167820392) is 3-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidin-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidin-2-yl]-1,2-oxazole?
The canonical SMILES for 3-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidin-2-yl]-1,2-oxazole is COc1ccccc1/C=C/CN1CCC[C@@H]1c1ccon1.
What is the InChIKey of 3-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidin-2-yl]-1,2-oxazole?
The InChIKey is KZIHTOQVFMYGNR-IEXSPKMKSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-20-17-9-3-2-6-14(17)7-4-11-19-12-5-8-16(19)15-10-13-21-18-15/h2-4,6-7,9-10,13,16H,5,8,11-12H2,1H3/b7-4+/t16-/m1/s1.
What are the key properties of 3-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidin-2-yl]-1,2-oxazole?
3-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidin-2-yl]-1,2-oxazole has a molecular weight of 284.36 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidin-2-yl]-1,2-oxazole is sourced from PubChem (CID 167820392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).