2-[3-[5-(3-hydroxypropyl)-1,2-oxazol-3-yl]phenyl]acetic acid

C14H15NO4 — CID 126722633

IUPAC2-[3-[5-(3-hydroxypropyl)-1,2-oxazol-3-yl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(-c2cc(CCCO)on2)c1
InChIInChI=1S/C14H15NO4/c16-6-2-5-12-9-13(15-19-12)11-4-1-3-10(7-11)8-14(17)18/h1,3-4,7,9,16H,2,5-6,8H2,(H,17,18)
InChIKeyMLBUQWULIGZXAC-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.89
Rot. Bonds6

About 2-[3-[5-(3-hydroxypropyl)-1,2-oxazol-3-yl]phenyl]acetic acid

2-[3-[5-(3-hydroxypropyl)-1,2-oxazol-3-yl]phenyl]acetic acid (PubChem CID 126722633) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[3-[5-(3-hydroxypropyl)-1,2-oxazol-3-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[5-(3-hydroxypropyl)-1,2-oxazol-3-yl]phenyl]acetic acid
PubChem CID126722633
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name2-[3-[5-(3-hydroxypropyl)-1,2-oxazol-3-yl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(-c2cc(CCCO)on2)c1
InChIInChI=1S/C14H15NO4/c16-6-2-5-12-9-13(15-19-12)11-4-1-3-10(7-11)8-14(17)18/h1,3-4,7,9,16H,2,5-6,8H2,(H,17,18)
InChIKeyMLBUQWULIGZXAC-UHFFFAOYSA-N
XLogP1.89
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-phenyl-1,2-oxazol-5-yl)butanoic acid
CID 102036434
2-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetic acid
CID 82282715
2-[3-[3-(hydroxymethyl)phenyl]phenyl]acetic acid
CID 1392506
3-[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-ol
CID 113374656
3-[3-(3-fluoro-4-methylphenyl)-1,2-oxazol-5-yl]propan-1-ol
CID 113374650
4-[methyl-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]amino]butanoic acid
CID 119135167
2-[3-(5-amino-1,2-oxazol-3-yl)phenyl]ethanol
CID 115112295
2-[3-(1,2-thiazol-3-yl)phenyl]acetic acid
CID 130731432
2-[3-[2-[3-(carboxymethyl)phenyl]phenyl]phenyl]acetic acid
CID 118456825
3-[3-(2-methylquinolin-6-yl)-1,2-oxazol-5-yl]propan-1-ol
CID 105379609
3-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propan-1-ol
CID 111104978
2-[3-[3-(2-aminoethyl)phenyl]phenyl]acetic acid
CID 1392718

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(3-hydroxypropyl)-1,2-oxazol-3-yl]phenyl]acetic acid?
The IUPAC name of 2-[3-[5-(3-hydroxypropyl)-1,2-oxazol-3-yl]phenyl]acetic acid (CID 126722633) is 2-[3-[5-(3-hydroxypropyl)-1,2-oxazol-3-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[5-(3-hydroxypropyl)-1,2-oxazol-3-yl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[5-(3-hydroxypropyl)-1,2-oxazol-3-yl]phenyl]acetic acid is O=C(O)Cc1cccc(-c2cc(CCCO)on2)c1.
What is the InChIKey of 2-[3-[5-(3-hydroxypropyl)-1,2-oxazol-3-yl]phenyl]acetic acid?
The InChIKey is MLBUQWULIGZXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c16-6-2-5-12-9-13(15-19-12)11-4-1-3-10(7-11)8-14(17)18/h1,3-4,7,9,16H,2,5-6,8H2,(H,17,18).
What are the key properties of 2-[3-[5-(3-hydroxypropyl)-1,2-oxazol-3-yl]phenyl]acetic acid?
2-[3-[5-(3-hydroxypropyl)-1,2-oxazol-3-yl]phenyl]acetic acid has a molecular weight of 261.28 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(3-hydroxypropyl)-1,2-oxazol-3-yl]phenyl]acetic acid is sourced from PubChem (CID 126722633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).