3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxyphenyl]pentanoic acid

C16H19NO4 — CID 66693572

IUPAC3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxyphenyl]pentanoic acid
SMILESCCC(CC(=O)O)c1ccc(O)cc1-c1c(C)noc1C
InChIInChI=1S/C16H19NO4/c1-4-11(7-15(19)20)13-6-5-12(18)8-14(13)16-9(2)17-21-10(16)3/h5-6,8,11,18H,4,7H2,1-3H3,(H,19,20)
InChIKeyNZPGTSUEJIMASS-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.63
Rot. Bonds5

About 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxyphenyl]pentanoic acid

3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxyphenyl]pentanoic acid (PubChem CID 66693572) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxyphenyl]pentanoic acid.

Molecular Properties

Compound Name3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxyphenyl]pentanoic acid
PubChem CID66693572
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxyphenyl]pentanoic acid
SMILESCCC(CC(=O)O)c1ccc(O)cc1-c1c(C)noc1C
InChIInChI=1S/C16H19NO4/c1-4-11(7-15(19)20)13-6-5-12(18)8-14(13)16-9(2)17-21-10(16)3/h5-6,8,11,18H,4,7H2,1-3H3,(H,19,20)
InChIKeyNZPGTSUEJIMASS-UHFFFAOYSA-N
XLogP3.63
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxyphenyl]pentanoic acid?
The IUPAC name of 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxyphenyl]pentanoic acid (CID 66693572) is 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxyphenyl]pentanoic acid.
What is the SMILES notation for 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxyphenyl]pentanoic acid?
The canonical SMILES for 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxyphenyl]pentanoic acid is CCC(CC(=O)O)c1ccc(O)cc1-c1c(C)noc1C.
What is the InChIKey of 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxyphenyl]pentanoic acid?
The InChIKey is NZPGTSUEJIMASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-4-11(7-15(19)20)13-6-5-12(18)8-14(13)16-9(2)17-21-10(16)3/h5-6,8,11,18H,4,7H2,1-3H3,(H,19,20).
What are the key properties of 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxyphenyl]pentanoic acid?
3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxyphenyl]pentanoic acid has a molecular weight of 289.33 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxyphenyl]pentanoic acid is sourced from PubChem (CID 66693572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).