[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]-(2-propyl-1,3-oxazol-4-yl)methanone

C20H26N2O4 — CID 167887230

IUPAC[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]-(2-propyl-1,3-oxazol-4-yl)methanone
SMILESCCCc1nc(C(=O)N2CCCC2C(C)(O)c2ccc(OC)cc2)co1
InChIInChI=1S/C20H26N2O4/c1-4-6-18-21-16(13-26-18)19(23)22-12-5-7-17(22)20(2,24)14-8-10-15(25-3)11-9-14/h8-11,13,17,24H,4-7,12H2,1-3H3
InChIKeyQCFKAVCODFOHCJ-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.15
Rot. Bonds6

About [2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]-(2-propyl-1,3-oxazol-4-yl)methanone

[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]-(2-propyl-1,3-oxazol-4-yl)methanone (PubChem CID 167887230) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is [2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]-(2-propyl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]-(2-propyl-1,3-oxazol-4-yl)methanone
PubChem CID167887230
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]-(2-propyl-1,3-oxazol-4-yl)methanone
SMILESCCCc1nc(C(=O)N2CCCC2C(C)(O)c2ccc(OC)cc2)co1
InChIInChI=1S/C20H26N2O4/c1-4-6-18-21-16(13-26-18)19(23)22-12-5-7-17(22)20(2,24)14-8-10-15(25-3)11-9-14/h8-11,13,17,24H,4-7,12H2,1-3H3
InChIKeyQCFKAVCODFOHCJ-UHFFFAOYSA-N
XLogP3.15
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-chlorofuran-3-yl)-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]methanone
CID 129007482
(2,6-dimethylpyrimidin-4-yl)-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]methanone
CID 128994946
furan-2-yl-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]methanone
CID 128974674
1-(4-methoxyphenyl)-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]ethanol
CID 128963769
[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 128974683
(4-chloro-1H-pyrrol-2-yl)-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]methanone
CID 128974712
(2-ethylpiperidin-1-yl)-[2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone
CID 45169442
4-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidine-1-carbonyl]pyridine-2-carbonitrile
CID 128999183
4-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidine-1-carbonyl]-5-methylfuran-2-carbonitrile
CID 154795378
(2R)-2-[(1R)-1-hydroxy-1-(4-methoxyphenyl)ethyl]-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 97088441
[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(2-propyl-1,3-oxazol-4-yl)methanone
CID 100740302
[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(2-propyl-1,3-oxazol-4-yl)methanone
CID 100740296

Frequently Asked Questions

What is the IUPAC name of [2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]-(2-propyl-1,3-oxazol-4-yl)methanone?
The IUPAC name of [2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]-(2-propyl-1,3-oxazol-4-yl)methanone (CID 167887230) is [2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]-(2-propyl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]-(2-propyl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for [2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]-(2-propyl-1,3-oxazol-4-yl)methanone is CCCc1nc(C(=O)N2CCCC2C(C)(O)c2ccc(OC)cc2)co1.
What is the InChIKey of [2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]-(2-propyl-1,3-oxazol-4-yl)methanone?
The InChIKey is QCFKAVCODFOHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-4-6-18-21-16(13-26-18)19(23)22-12-5-7-17(22)20(2,24)14-8-10-15(25-3)11-9-14/h8-11,13,17,24H,4-7,12H2,1-3H3.
What are the key properties of [2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]-(2-propyl-1,3-oxazol-4-yl)methanone?
[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]-(2-propyl-1,3-oxazol-4-yl)methanone has a molecular weight of 358.44 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]-(2-propyl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 167887230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).