5-methyl-4-[2-[4-(5-methylpyrrolidin-2-yl)phenoxy]ethyl]-2-phenyl-1,3-oxazole

C23H26N2O2 — CID 21051422

IUPAC5-methyl-4-[2-[4-(5-methylpyrrolidin-2-yl)phenoxy]ethyl]-2-phenyl-1,3-oxazole
SMILESCc1oc(-c2ccccc2)nc1CCOc1ccc(C2CCC(C)N2)cc1
InChIInChI=1S/C23H26N2O2/c1-16-8-13-22(24-16)18-9-11-20(12-10-18)26-15-14-21-17(2)27-23(25-21)19-6-4-3-5-7-19/h3-7,9-12,16,22,24H,8,13-15H2,1-2H3
InChIKeyXCWJITLWHDDRRJ-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.08
Rot. Bonds6

About 5-methyl-4-[2-[4-(5-methylpyrrolidin-2-yl)phenoxy]ethyl]-2-phenyl-1,3-oxazole

5-methyl-4-[2-[4-(5-methylpyrrolidin-2-yl)phenoxy]ethyl]-2-phenyl-1,3-oxazole (PubChem CID 21051422) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 5-methyl-4-[2-[4-(5-methylpyrrolidin-2-yl)phenoxy]ethyl]-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-4-[2-[4-(5-methylpyrrolidin-2-yl)phenoxy]ethyl]-2-phenyl-1,3-oxazole
PubChem CID21051422
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name5-methyl-4-[2-[4-(5-methylpyrrolidin-2-yl)phenoxy]ethyl]-2-phenyl-1,3-oxazole
SMILESCc1oc(-c2ccccc2)nc1CCOc1ccc(C2CCC(C)N2)cc1
InChIInChI=1S/C23H26N2O2/c1-16-8-13-22(24-16)18-9-11-20(12-10-18)26-15-14-21-17(2)27-23(25-21)19-6-4-3-5-7-19/h3-7,9-12,16,22,24H,8,13-15H2,1-2H3
InChIKeyXCWJITLWHDDRRJ-UHFFFAOYSA-N
XLogP5.08
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-4-[2-[4-[(2S,5R)-5-methylpyrrolidin-2-yl]phenoxy]ethyl]-1,3-oxazole
CID 58697819
4-[2-[4-(chloromethyl)phenoxy]ethyl]-5-methyl-2-phenyl-1,3-oxazole
CID 11809594
5-methyl-4-[2-[4-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)phenoxy]ethyl]-2-phenyl-1,3-oxazole
CID 58977394
N-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]propan-2-amine
CID 20723597
2-[2-methyl-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 10091852
2-(4-cyclohexylphenoxy)-2-methyl-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoic acid
CID 139983293
N-[[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]-1-phenylmethanamine
CID 59964502
5-methyl-2-phenyl-4-[2-[3-[(3R)-pyrrolidin-3-yl]phenoxy]ethyl]-1,3-oxazole
CID 142849494
(2S,5S)-1-(4-methoxyphenoxy)carbonyl-5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]pyrrolidine-2-carboxylic acid
CID 59835721
2-[carboxymethyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
CID 11189438
(2S,7S)-1-(4-methoxyphenoxy)carbonyl-7-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]azepane-2-carboxylic acid
CID 58693750
3-amino-2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy](1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl]methyl]-3-oxopropanoic acid
CID 10862268

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[2-[4-(5-methylpyrrolidin-2-yl)phenoxy]ethyl]-2-phenyl-1,3-oxazole?
The IUPAC name of 5-methyl-4-[2-[4-(5-methylpyrrolidin-2-yl)phenoxy]ethyl]-2-phenyl-1,3-oxazole (CID 21051422) is 5-methyl-4-[2-[4-(5-methylpyrrolidin-2-yl)phenoxy]ethyl]-2-phenyl-1,3-oxazole.
What is the SMILES notation for 5-methyl-4-[2-[4-(5-methylpyrrolidin-2-yl)phenoxy]ethyl]-2-phenyl-1,3-oxazole?
The canonical SMILES for 5-methyl-4-[2-[4-(5-methylpyrrolidin-2-yl)phenoxy]ethyl]-2-phenyl-1,3-oxazole is Cc1oc(-c2ccccc2)nc1CCOc1ccc(C2CCC(C)N2)cc1.
What is the InChIKey of 5-methyl-4-[2-[4-(5-methylpyrrolidin-2-yl)phenoxy]ethyl]-2-phenyl-1,3-oxazole?
The InChIKey is XCWJITLWHDDRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-16-8-13-22(24-16)18-9-11-20(12-10-18)26-15-14-21-17(2)27-23(25-21)19-6-4-3-5-7-19/h3-7,9-12,16,22,24H,8,13-15H2,1-2H3.
What are the key properties of 5-methyl-4-[2-[4-(5-methylpyrrolidin-2-yl)phenoxy]ethyl]-2-phenyl-1,3-oxazole?
5-methyl-4-[2-[4-(5-methylpyrrolidin-2-yl)phenoxy]ethyl]-2-phenyl-1,3-oxazole has a molecular weight of 362.47 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[2-[4-(5-methylpyrrolidin-2-yl)phenoxy]ethyl]-2-phenyl-1,3-oxazole is sourced from PubChem (CID 21051422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).