5-methyl-2-pentan-3-yl-4-(2-phenoxyethyl)-1,3-oxazole

C17H23NO2 — CID 141088768

IUPAC5-methyl-2-pentan-3-yl-4-(2-phenoxyethyl)-1,3-oxazole
SMILESCCC(CC)c1nc(CCOc2ccccc2)c(C)o1
InChIInChI=1S/C17H23NO2/c1-4-14(5-2)17-18-16(13(3)20-17)11-12-19-15-9-7-6-8-10-15/h6-10,14H,4-5,11-12H2,1-3H3
InChIKeyBUOYWIFGHXCJJY-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.51
Rot. Bonds7

About 5-methyl-2-pentan-3-yl-4-(2-phenoxyethyl)-1,3-oxazole

5-methyl-2-pentan-3-yl-4-(2-phenoxyethyl)-1,3-oxazole (PubChem CID 141088768) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 5-methyl-2-pentan-3-yl-4-(2-phenoxyethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-pentan-3-yl-4-(2-phenoxyethyl)-1,3-oxazole
PubChem CID141088768
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name5-methyl-2-pentan-3-yl-4-(2-phenoxyethyl)-1,3-oxazole
SMILESCCC(CC)c1nc(CCOc2ccccc2)c(C)o1
InChIInChI=1S/C17H23NO2/c1-4-14(5-2)17-18-16(13(3)20-17)11-12-19-15-9-7-6-8-10-15/h6-10,14H,4-5,11-12H2,1-3H3
InChIKeyBUOYWIFGHXCJJY-UHFFFAOYSA-N
XLogP4.51
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-phenyl-4-[2-(3-propylphenoxy)ethyl]-1,3-oxazole
CID 23402836
4-[2-[4-(chloromethyl)phenoxy]ethyl]-5-methyl-2-phenyl-1,3-oxazole
CID 11809594
2-[5-methyl-2-(3-phenoxypropyl)-1,3-oxazol-4-yl]acetic acid
CID 82219979
ethyl (2S)-2-(ethylamino)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate;hydrochloride
CID 139706678
N-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]propan-2-amine
CID 20723597
3-ethoxy-2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-3-oxopropanoic acid
CID 10788402
2-[5-methyl-2-(1-pyridin-2-yloxyethyl)-1,3-oxazol-4-yl]ethanol
CID 67845522
1-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62857431
3-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanal
CID 58977434
(2R)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-pyridin-3-ylpropanoic acid
CID 59096884
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
ethyl 2-ethoxy-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate
CID 74368608

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-pentan-3-yl-4-(2-phenoxyethyl)-1,3-oxazole?
The IUPAC name of 5-methyl-2-pentan-3-yl-4-(2-phenoxyethyl)-1,3-oxazole (CID 141088768) is 5-methyl-2-pentan-3-yl-4-(2-phenoxyethyl)-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-pentan-3-yl-4-(2-phenoxyethyl)-1,3-oxazole?
The canonical SMILES for 5-methyl-2-pentan-3-yl-4-(2-phenoxyethyl)-1,3-oxazole is CCC(CC)c1nc(CCOc2ccccc2)c(C)o1.
What is the InChIKey of 5-methyl-2-pentan-3-yl-4-(2-phenoxyethyl)-1,3-oxazole?
The InChIKey is BUOYWIFGHXCJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-4-14(5-2)17-18-16(13(3)20-17)11-12-19-15-9-7-6-8-10-15/h6-10,14H,4-5,11-12H2,1-3H3.
What are the key properties of 5-methyl-2-pentan-3-yl-4-(2-phenoxyethyl)-1,3-oxazole?
5-methyl-2-pentan-3-yl-4-(2-phenoxyethyl)-1,3-oxazole has a molecular weight of 273.38 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-pentan-3-yl-4-(2-phenoxyethyl)-1,3-oxazole is sourced from PubChem (CID 141088768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).