2-[3-[2-(5-ethyl-2-methyl-2,3-dihydro-1,3-oxazol-4-yl)ethoxy]phenyl]acetic acid

C16H21NO4 — CID 91255672

IUPAC2-[3-[2-(5-ethyl-2-methyl-2,3-dihydro-1,3-oxazol-4-yl)ethoxy]phenyl]acetic acid
SMILESCCC1=C(CCOc2cccc(CC(=O)O)c2)NC(C)O1
InChIInChI=1S/C16H21NO4/c1-3-15-14(17-11(2)21-15)7-8-20-13-6-4-5-12(9-13)10-16(18)19/h4-6,9,11,17H,3,7-8,10H2,1-2H3,(H,18,19)
InChIKeyTVGRICOGGVPLDW-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.67
Rot. Bonds7

About 2-[3-[2-(5-ethyl-2-methyl-2,3-dihydro-1,3-oxazol-4-yl)ethoxy]phenyl]acetic acid

2-[3-[2-(5-ethyl-2-methyl-2,3-dihydro-1,3-oxazol-4-yl)ethoxy]phenyl]acetic acid (PubChem CID 91255672) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[3-[2-(5-ethyl-2-methyl-2,3-dihydro-1,3-oxazol-4-yl)ethoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-(5-ethyl-2-methyl-2,3-dihydro-1,3-oxazol-4-yl)ethoxy]phenyl]acetic acid
PubChem CID91255672
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-[3-[2-(5-ethyl-2-methyl-2,3-dihydro-1,3-oxazol-4-yl)ethoxy]phenyl]acetic acid
SMILESCCC1=C(CCOc2cccc(CC(=O)O)c2)NC(C)O1
InChIInChI=1S/C16H21NO4/c1-3-15-14(17-11(2)21-15)7-8-20-13-6-4-5-12(9-13)10-16(18)19/h4-6,9,11,17H,3,7-8,10H2,1-2H3,(H,18,19)
InChIKeyTVGRICOGGVPLDW-UHFFFAOYSA-N
XLogP2.67
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-[2-(5-ethyl-2-methyl-2,3-dihydro-1,3-oxazol-4-yl)ethoxy]phenyl]methylsulfanyl]acetic acid
CID 90734431
2-(3-octoxyphenyl)acetic acid
CID 11975056
2-[3-(4-phenylbutoxy)phenyl]acetic acid
CID 114332927
2-[2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]acetic acid
CID 82423868
2-[3-[2-(2,5-diethyl-1,3-thiazol-4-yl)ethoxy]phenyl]acetic acid
CID 58859470
2-[3-(ethoxymethoxy)phenyl]acetic acid
CID 65364927
2-[3-(cyclopropylmethoxy)phenyl]acetic acid
CID 61398066
2-[3-(2,2-difluoropropoxy)phenyl]acetic acid
CID 84693368
2-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]acetic acid
CID 61398226
2-[3-(bromomethoxy)phenyl]acetic acid
CID 151200250
4-[2-(3-ethylphenoxy)ethyl]-5-methyl-2-phenyl-2,3-dihydro-1,3-oxazole
CID 91404957
2-(3-trimethylsilyloxyphenyl)acetic acid
CID 167737399

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(5-ethyl-2-methyl-2,3-dihydro-1,3-oxazol-4-yl)ethoxy]phenyl]acetic acid?
The IUPAC name of 2-[3-[2-(5-ethyl-2-methyl-2,3-dihydro-1,3-oxazol-4-yl)ethoxy]phenyl]acetic acid (CID 91255672) is 2-[3-[2-(5-ethyl-2-methyl-2,3-dihydro-1,3-oxazol-4-yl)ethoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[2-(5-ethyl-2-methyl-2,3-dihydro-1,3-oxazol-4-yl)ethoxy]phenyl]acetic acid?
The canonical SMILES for 2-[3-[2-(5-ethyl-2-methyl-2,3-dihydro-1,3-oxazol-4-yl)ethoxy]phenyl]acetic acid is CCC1=C(CCOc2cccc(CC(=O)O)c2)NC(C)O1.
What is the InChIKey of 2-[3-[2-(5-ethyl-2-methyl-2,3-dihydro-1,3-oxazol-4-yl)ethoxy]phenyl]acetic acid?
The InChIKey is TVGRICOGGVPLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-3-15-14(17-11(2)21-15)7-8-20-13-6-4-5-12(9-13)10-16(18)19/h4-6,9,11,17H,3,7-8,10H2,1-2H3,(H,18,19).
What are the key properties of 2-[3-[2-(5-ethyl-2-methyl-2,3-dihydro-1,3-oxazol-4-yl)ethoxy]phenyl]acetic acid?
2-[3-[2-(5-ethyl-2-methyl-2,3-dihydro-1,3-oxazol-4-yl)ethoxy]phenyl]acetic acid has a molecular weight of 291.35 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(5-ethyl-2-methyl-2,3-dihydro-1,3-oxazol-4-yl)ethoxy]phenyl]acetic acid is sourced from PubChem (CID 91255672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).