5-methyl-2-phenyl-4-[2-(3-propylphenoxy)ethyl]-1,3-oxazole

C21H23NO2 — CID 23402836

IUPAC5-methyl-2-phenyl-4-[2-(3-propylphenoxy)ethyl]-1,3-oxazole
SMILESCCCc1cccc(OCCc2nc(-c3ccccc3)oc2C)c1
InChIInChI=1S/C21H23NO2/c1-3-8-17-9-7-12-19(15-17)23-14-13-20-16(2)24-21(22-20)18-10-5-4-6-11-18/h4-7,9-12,15H,3,8,13-14H2,1-2H3
InChIKeyNQMRPINQVKGQGY-UHFFFAOYSA-N
MW321.42 g/mol
LogP5.22
Rot. Bonds7

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

5-methyl-2-phenyl-4-[2-(3-propylphenoxy)ethyl]-1,3-oxazole (PubChem CID 23402836) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 5-methyl-2-phenyl-4-[2-(3-propylphenoxy)ethyl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-phenyl-4-[2-(3-propylphenoxy)ethyl]-1,3-oxazole
PubChem CID23402836
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name5-methyl-2-phenyl-4-[2-(3-propylphenoxy)ethyl]-1,3-oxazole
SMILESCCCc1cccc(OCCc2nc(-c3ccccc3)oc2C)c1
InChIInChI=1S/C21H23NO2/c1-3-8-17-9-7-12-19(15-17)23-14-13-20-16(2)24-21(22-20)18-10-5-4-6-11-18/h4-7,9-12,15H,3,8,13-14H2,1-2H3
InChIKeyNQMRPINQVKGQGY-UHFFFAOYSA-N
XLogP5.22
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.42
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(3-propylphenoxy)carbonylamino]acetic acid
CID 22087545
4-[2-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-1-phenylpyrrole-3-carboxylic acid;3-propylphenol
CID 159590366
methyl 6-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]hexanoate
CID 23568566
(3R,4S)-1-benzyl-4-[2-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]pyrrolidine-3-carboxylic acid;5-methyl-2-phenyl-4-[2-(3-propylphenoxy)ethyl]-1,3-oxazole
CID 159555897
2-[benzyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
CID 16739272
2-methyl-2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methylsulfanyl]propanoic acid
CID 22169941
2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[(3-phenoxyphenyl)methyl]amino]acetic acid
CID 22087544
[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanol
CID 11140977
4-[2-[3-[[(3R,4R)-1-benzyl-4-methylpyrrolidin-3-yl]methyl]phenoxy]ethyl]-5-methyl-2-phenyl-1,3-oxazole
CID 58977733
2-cyclopropyl-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]acetamide
CID 173167337

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-4-[2-(3-propylphenoxy)ethyl]-1,3-oxazole?
The IUPAC name of 5-methyl-2-phenyl-4-[2-(3-propylphenoxy)ethyl]-1,3-oxazole (CID 23402836) is 5-methyl-2-phenyl-4-[2-(3-propylphenoxy)ethyl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-phenyl-4-[2-(3-propylphenoxy)ethyl]-1,3-oxazole?
The canonical SMILES for 5-methyl-2-phenyl-4-[2-(3-propylphenoxy)ethyl]-1,3-oxazole is CCCc1cccc(OCCc2nc(-c3ccccc3)oc2C)c1.
What is the InChIKey of 5-methyl-2-phenyl-4-[2-(3-propylphenoxy)ethyl]-1,3-oxazole?
The InChIKey is NQMRPINQVKGQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-3-8-17-9-7-12-19(15-17)23-14-13-20-16(2)24-21(22-20)18-10-5-4-6-11-18/h4-7,9-12,15H,3,8,13-14H2,1-2H3.
What are the key properties of 5-methyl-2-phenyl-4-[2-(3-propylphenoxy)ethyl]-1,3-oxazole?
5-methyl-2-phenyl-4-[2-(3-propylphenoxy)ethyl]-1,3-oxazole has a molecular weight of 321.42 g/mol, XLogP of 5.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-4-[2-(3-propylphenoxy)ethyl]-1,3-oxazole is sourced from PubChem (CID 23402836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).