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

C22H24N2O2 — CID 142849494

IUPAC5-methyl-2-phenyl-4-[2-[3-[(3R)-pyrrolidin-3-yl]phenoxy]ethyl]-1,3-oxazole
SMILESCc1oc(-c2ccccc2)nc1CCOc1cccc([C@H]2CCNC2)c1
InChIInChI=1S/C22H24N2O2/c1-16-21(24-22(26-16)17-6-3-2-4-7-17)11-13-25-20-9-5-8-18(14-20)19-10-12-23-15-19/h2-9,14,19,23H,10-13,15H2,1H3/t19-/m0/s1
InChIKeyVEJYRFJGGSMBRX-IBGZPJMESA-N
MW348.45 g/mol
LogP4.35
Rot. Bonds6

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

5-methyl-2-phenyl-4-[2-[3-[(3R)-pyrrolidin-3-yl]phenoxy]ethyl]-1,3-oxazole (PubChem CID 142849494) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 5-methyl-2-phenyl-4-[2-[3-[(3R)-pyrrolidin-3-yl]phenoxy]ethyl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-phenyl-4-[2-[3-[(3R)-pyrrolidin-3-yl]phenoxy]ethyl]-1,3-oxazole
PubChem CID142849494
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name5-methyl-2-phenyl-4-[2-[3-[(3R)-pyrrolidin-3-yl]phenoxy]ethyl]-1,3-oxazole
SMILESCc1oc(-c2ccccc2)nc1CCOc1cccc([C@H]2CCNC2)c1
InChIInChI=1S/C22H24N2O2/c1-16-21(24-22(26-16)17-6-3-2-4-7-17)11-13-25-20-9-5-8-18(14-20)19-10-12-23-15-19/h2-9,14,19,23H,10-13,15H2,1H3/t19-/m0/s1
InChIKeyVEJYRFJGGSMBRX-IBGZPJMESA-N
XLogP4.35
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(4R)-3-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]piperidin-4-yl]acetate
CID 59026470
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CID 141066815
5-methyl-2-phenyl-4-[2-(3-propylphenoxy)ethyl]-1,3-oxazole
CID 23402836
2-cyclopropyl-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]acetamide
CID 173167337
2-[(3R,4R)-1-ethoxycarbonyl-4-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]pyrrolidin-3-yl]acetic acid
CID 10073789
(3-cyclopropylphenyl) N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-N-propylcarbamate
CID 22087736
3-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanal
CID 58977434
1-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propan-2-one
CID 59067238
3-(3-pyrrolidin-3-ylphenoxy)propanoic acid
CID 115040765
2-[(3S,4S)-4-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1-propoxycarbonylpyrrolidin-3-yl]acetic acid
CID 59026497
3-(3-ethoxyphenyl)pyrrolidine
CID 62064360
5-methyl-4-[2-[4-(5-methylpyrrolidin-2-yl)phenoxy]ethyl]-2-phenyl-1,3-oxazole
CID 21051422

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-4-[2-[3-[(3R)-pyrrolidin-3-yl]phenoxy]ethyl]-1,3-oxazole?
The IUPAC name of 5-methyl-2-phenyl-4-[2-[3-[(3R)-pyrrolidin-3-yl]phenoxy]ethyl]-1,3-oxazole (CID 142849494) is 5-methyl-2-phenyl-4-[2-[3-[(3R)-pyrrolidin-3-yl]phenoxy]ethyl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-phenyl-4-[2-[3-[(3R)-pyrrolidin-3-yl]phenoxy]ethyl]-1,3-oxazole?
The canonical SMILES for 5-methyl-2-phenyl-4-[2-[3-[(3R)-pyrrolidin-3-yl]phenoxy]ethyl]-1,3-oxazole is Cc1oc(-c2ccccc2)nc1CCOc1cccc([C@H]2CCNC2)c1.
What is the InChIKey of 5-methyl-2-phenyl-4-[2-[3-[(3R)-pyrrolidin-3-yl]phenoxy]ethyl]-1,3-oxazole?
The InChIKey is VEJYRFJGGSMBRX-IBGZPJMESA-N. The full InChI is InChI=1S/C22H24N2O2/c1-16-21(24-22(26-16)17-6-3-2-4-7-17)11-13-25-20-9-5-8-18(14-20)19-10-12-23-15-19/h2-9,14,19,23H,10-13,15H2,1H3/t19-/m0/s1.
What are the key properties of 5-methyl-2-phenyl-4-[2-[3-[(3R)-pyrrolidin-3-yl]phenoxy]ethyl]-1,3-oxazole?
5-methyl-2-phenyl-4-[2-[3-[(3R)-pyrrolidin-3-yl]phenoxy]ethyl]-1,3-oxazole has a molecular weight of 348.45 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-4-[2-[3-[(3R)-pyrrolidin-3-yl]phenoxy]ethyl]-1,3-oxazole is sourced from PubChem (CID 142849494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).