1-(4-methoxyphenyl)-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]ethanol

C19H27N3O3 — CID 128963769

IUPAC1-(4-methoxyphenyl)-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]ethanol
SMILESCCCc1nc(CN2CCCC2C(C)(O)c2ccc(OC)cc2)no1
InChIInChI=1S/C19H27N3O3/c1-4-6-18-20-17(21-25-18)13-22-12-5-7-16(22)19(2,23)14-8-10-15(24-3)11-9-14/h8-11,16,23H,4-7,12-13H2,1-3H3
InChIKeyWNQYKQZQNUBOOT-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.90
Rot. Bonds7

About 1-(4-methoxyphenyl)-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]ethanol

1-(4-methoxyphenyl)-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]ethanol (PubChem CID 128963769) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]ethanol
PubChem CID128963769
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-(4-methoxyphenyl)-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]ethanol
SMILESCCCc1nc(CN2CCCC2C(C)(O)c2ccc(OC)cc2)no1
InChIInChI=1S/C19H27N3O3/c1-4-6-18-20-17(21-25-18)13-22-12-5-7-16(22)19(2,23)14-8-10-15(24-3)11-9-14/h8-11,16,23H,4-7,12-13H2,1-3H3
InChIKeyWNQYKQZQNUBOOT-UHFFFAOYSA-N
XLogP2.90
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxyphenyl)-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]ethanol
CID 154751343
1-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanol
CID 154751348
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanol
CID 128974507
(1R)-1-(4-methoxyphenyl)-1-[(2R)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]ethanol
CID 100673530
1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanol
CID 129001838
1-(4-methoxyphenyl)-1-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]ethanol
CID 128974487
(1S)-1-(4-methoxyphenyl)-1-[(2S)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]ethanol
CID 100666179
1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 61495787
N-[2-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]ethyl]methanesulfonamide
CID 154751347
5-ethyl-3-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 126836051
1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylic acid
CID 61495823
2-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanol
CID 62021392

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]ethanol?
The IUPAC name of 1-(4-methoxyphenyl)-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]ethanol (CID 128963769) is 1-(4-methoxyphenyl)-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]ethanol.
What is the SMILES notation for 1-(4-methoxyphenyl)-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]ethanol?
The canonical SMILES for 1-(4-methoxyphenyl)-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]ethanol is CCCc1nc(CN2CCCC2C(C)(O)c2ccc(OC)cc2)no1.
What is the InChIKey of 1-(4-methoxyphenyl)-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]ethanol?
The InChIKey is WNQYKQZQNUBOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-4-6-18-20-17(21-25-18)13-22-12-5-7-16(22)19(2,23)14-8-10-15(24-3)11-9-14/h8-11,16,23H,4-7,12-13H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]ethanol?
1-(4-methoxyphenyl)-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]ethanol has a molecular weight of 345.44 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 128963769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).