2-[5-[3-(hydroxymethyl)phenyl]-1,3-oxazol-4-yl]acetic acid

C12H11NO4 — CID 174643664

IUPAC2-[5-[3-(hydroxymethyl)phenyl]-1,3-oxazol-4-yl]acetic acid
SMILESO=C(O)Cc1ncoc1-c1cccc(CO)c1
InChIInChI=1S/C12H11NO4/c14-6-8-2-1-3-9(4-8)12-10(5-11(15)16)13-7-17-12/h1-4,7,14H,5-6H2,(H,15,16)
InChIKeyQBFBUGYJGHPLKN-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.46
Rot. Bonds4

About 2-[5-[3-(hydroxymethyl)phenyl]-1,3-oxazol-4-yl]acetic acid

2-[5-[3-(hydroxymethyl)phenyl]-1,3-oxazol-4-yl]acetic acid (PubChem CID 174643664) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 2-[5-[3-(hydroxymethyl)phenyl]-1,3-oxazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[3-(hydroxymethyl)phenyl]-1,3-oxazol-4-yl]acetic acid
PubChem CID174643664
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name2-[5-[3-(hydroxymethyl)phenyl]-1,3-oxazol-4-yl]acetic acid
SMILESO=C(O)Cc1ncoc1-c1cccc(CO)c1
InChIInChI=1S/C12H11NO4/c14-6-8-2-1-3-9(4-8)12-10(5-11(15)16)13-7-17-12/h1-4,7,14H,5-6H2,(H,15,16)
InChIKeyQBFBUGYJGHPLKN-UHFFFAOYSA-N
XLogP1.46
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(hydroxymethyl)phenyl]-1,3-oxazole-4-carboxylic acid
CID 66928357
2-[5-(3-cyanophenyl)-1,3-oxazol-4-yl]acetic acid
CID 22282481
2-[3-[3-(hydroxymethyl)phenyl]phenyl]acetic acid
CID 1392506
4-benzyl-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-oxazole
CID 163305240
[3-(1,3-oxazol-5-yl)phenyl]methanol
CID 54312387
[3-(1,2,4-oxadiazol-3-yl)phenyl]methanol
CID 134817586
2-[5-[5-[4-(carboxymethyl)-5-[3-(hydroxymethyl)phenyl]thiophen-2-yl]thiophen-2-yl]-2-[3-(hydroxymethyl)phenyl]thiophen-3-yl]acetic acid
CID 71231168
4-(chloromethyl)-5-(3-chlorophenyl)-1,3-oxazole
CID 79154021
2-[[5-(4-benzyl-1,3-oxazol-5-yl)pyrimidin-2-yl]amino]acetic acid
CID 163312376
2-[3-[2-[3-(carboxymethyl)phenyl]phenyl]phenyl]acetic acid
CID 118456825
2-[3-(hydroxymethyl)phenyl]pyridin-3-ol
CID 53217569
4-(bromomethyl)-5-(3-fluorophenyl)-1,3-oxazole
CID 79153356

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(hydroxymethyl)phenyl]-1,3-oxazol-4-yl]acetic acid?
The IUPAC name of 2-[5-[3-(hydroxymethyl)phenyl]-1,3-oxazol-4-yl]acetic acid (CID 174643664) is 2-[5-[3-(hydroxymethyl)phenyl]-1,3-oxazol-4-yl]acetic acid.
What is the SMILES notation for 2-[5-[3-(hydroxymethyl)phenyl]-1,3-oxazol-4-yl]acetic acid?
The canonical SMILES for 2-[5-[3-(hydroxymethyl)phenyl]-1,3-oxazol-4-yl]acetic acid is O=C(O)Cc1ncoc1-c1cccc(CO)c1.
What is the InChIKey of 2-[5-[3-(hydroxymethyl)phenyl]-1,3-oxazol-4-yl]acetic acid?
The InChIKey is QBFBUGYJGHPLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c14-6-8-2-1-3-9(4-8)12-10(5-11(15)16)13-7-17-12/h1-4,7,14H,5-6H2,(H,15,16).
What are the key properties of 2-[5-[3-(hydroxymethyl)phenyl]-1,3-oxazol-4-yl]acetic acid?
2-[5-[3-(hydroxymethyl)phenyl]-1,3-oxazol-4-yl]acetic acid has a molecular weight of 233.22 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(hydroxymethyl)phenyl]-1,3-oxazol-4-yl]acetic acid is sourced from PubChem (CID 174643664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).