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

C19H26N2O3 — CID 128974507

IUPAC1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(C)(O)C2CCCN2Cc2c(C)noc2C)cc1
InChIInChI=1S/C19H26N2O3/c1-13-17(14(2)24-20-13)12-21-11-5-6-18(21)19(3,22)15-7-9-16(23-4)10-8-15/h7-10,18,22H,5-6,11-12H2,1-4H3
InChIKeyLQKNRSFCTQWKNW-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.17
Rot. Bonds5

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

1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanol (PubChem CID 128974507) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanol
PubChem CID128974507
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(C)(O)C2CCCN2Cc2c(C)noc2C)cc1
InChIInChI=1S/C19H26N2O3/c1-13-17(14(2)24-20-13)12-21-11-5-6-18(21)19(3,22)15-7-9-16(23-4)10-8-15/h7-10,18,22H,5-6,11-12H2,1-4H3
InChIKeyLQKNRSFCTQWKNW-UHFFFAOYSA-N
XLogP3.17
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(4-methoxyphenyl)-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]ethanol
CID 128963769
(1R)-1-(4-methoxyphenyl)-1-[(2R)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]ethanol
CID 100673530
(1S)-1-(4-methoxyphenyl)-1-[(2S)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]ethanol
CID 100666179
1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanol
CID 129001838
N-[2-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]ethyl]methanesulfonamide
CID 154751347
4-[(2S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 92732569
(2,6-dimethylpyrimidin-4-yl)-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]methanone
CID 128994946
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788281
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42896770
4-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 94616382

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanol (CID 128974507) is 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanol is COc1ccc(C(C)(O)C2CCCN2Cc2c(C)noc2C)cc1.
What is the InChIKey of 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanol?
The InChIKey is LQKNRSFCTQWKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-13-17(14(2)24-20-13)12-21-11-5-6-18(21)19(3,22)15-7-9-16(23-4)10-8-15/h7-10,18,22H,5-6,11-12H2,1-4H3.
What are the key properties of 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanol?
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanol has a molecular weight of 330.43 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 128974507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).