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

C6H7NO4 — CID 170986238

IUPAC2-[3-(hydroxymethyl)-1,2-oxazol-5-yl]acetic acid
SMILESO=C(O)Cc1cc(CO)no1
InChIInChI=1S/C6H7NO4/c8-3-4-1-5(11-7-4)2-6(9)10/h1,8H,2-3H2,(H,9,10)
InChIKeyMUKXNQNOCRUWPD-UHFFFAOYSA-N
MW157.12 g/mol
LogP-0.21
Rot. Bonds3

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

2-[3-(hydroxymethyl)-1,2-oxazol-5-yl]acetic acid (PubChem CID 170986238) has the molecular formula C6H7NO4 and a molecular weight of 157.12 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)-1,2-oxazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)-1,2-oxazol-5-yl]acetic acid
PubChem CID170986238
Molecular FormulaC6H7NO4
Molecular Weight157.12 g/mol
Exact Mass157.04
IUPAC Name2-[3-(hydroxymethyl)-1,2-oxazol-5-yl]acetic acid
SMILESO=C(O)Cc1cc(CO)no1
InChIInChI=1S/C6H7NO4/c8-3-4-1-5(11-7-4)2-6(9)10/h1,8H,2-3H2,(H,9,10)
InChIKeyMUKXNQNOCRUWPD-UHFFFAOYSA-N
XLogP-0.21
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.12
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)-1,2-oxazol-5-yl]acetic acid?
The IUPAC name of 2-[3-(hydroxymethyl)-1,2-oxazol-5-yl]acetic acid (CID 170986238) is 2-[3-(hydroxymethyl)-1,2-oxazol-5-yl]acetic acid.
What is the SMILES notation for 2-[3-(hydroxymethyl)-1,2-oxazol-5-yl]acetic acid?
The canonical SMILES for 2-[3-(hydroxymethyl)-1,2-oxazol-5-yl]acetic acid is O=C(O)Cc1cc(CO)no1.
What is the InChIKey of 2-[3-(hydroxymethyl)-1,2-oxazol-5-yl]acetic acid?
The InChIKey is MUKXNQNOCRUWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO4/c8-3-4-1-5(11-7-4)2-6(9)10/h1,8H,2-3H2,(H,9,10).
What are the key properties of 2-[3-(hydroxymethyl)-1,2-oxazol-5-yl]acetic acid?
2-[3-(hydroxymethyl)-1,2-oxazol-5-yl]acetic acid has a molecular weight of 157.12 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)-1,2-oxazol-5-yl]acetic acid is sourced from PubChem (CID 170986238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).