2-(2-methyl-1,3-oxazol-5-yl)acetic acid

C6H7NO3 — CID 58189150

IUPAC2-(2-methyl-1,3-oxazol-5-yl)acetic acid
SMILESCc1ncc(CC(=O)O)o1
InChIInChI=1S/C6H7NO3/c1-4-7-3-5(10-4)2-6(8)9/h3H,2H2,1H3,(H,8,9)
InChIKeyJFQNTUTWWNJLBN-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.61
Rot. Bonds2

About 2-(2-methyl-1,3-oxazol-5-yl)acetic acid

2-(2-methyl-1,3-oxazol-5-yl)acetic acid (PubChem CID 58189150) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is 2-(2-methyl-1,3-oxazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methyl-1,3-oxazol-5-yl)acetic acid
PubChem CID58189150
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name2-(2-methyl-1,3-oxazol-5-yl)acetic acid
SMILESCc1ncc(CC(=O)O)o1
InChIInChI=1S/C6H7NO3/c1-4-7-3-5(10-4)2-6(8)9/h3H,2H2,1H3,(H,8,9)
InChIKeyJFQNTUTWWNJLBN-UHFFFAOYSA-N
XLogP0.61
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Oxazoleacetic acid, methyl ester
CID 15153249
2-(2-Tert-butyl-1,3-oxazol-5-YL)acetic acid
CID 82407315
2-Methyl-2-(1,3-oxazol-5-yl)propanoic acid
CID 82416426
Potassium 2-(1,3-oxazol-5-yl)acetate
CID 138040195
Oxazole-5-acetic Acid
CID 21197975
2-(5-Methyloxazol-2-yl)acetic acid
CID 75355630
Ethyl 2,2-difluoro-2-(1,3-oxazol-5-yl)acetate
CID 140207165
2-[2-(Fluoromethyl)-1,3-oxazol-5-yl]acetic acid
CID 84764060
2-[2-(Fluoromethyl)-1,3-oxazol-5-yl]propanoic acid
CID 84766371
2-[2-(Difluoromethyl)-1,3-oxazol-5-yl]acetic acid
CID 84767241
2-[5-(2-Fluoropropan-2-yl)-1,3-oxazol-2-yl]acetic acid
CID 84770270
2-[2-(2-Fluoropropan-2-yl)-1,3-oxazol-5-yl]acetic acid
CID 84770276

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-oxazol-5-yl)acetic acid?
The IUPAC name of 2-(2-methyl-1,3-oxazol-5-yl)acetic acid (CID 58189150) is 2-(2-methyl-1,3-oxazol-5-yl)acetic acid.
What is the SMILES notation for 2-(2-methyl-1,3-oxazol-5-yl)acetic acid?
The canonical SMILES for 2-(2-methyl-1,3-oxazol-5-yl)acetic acid is Cc1ncc(CC(=O)O)o1.
What is the InChIKey of 2-(2-methyl-1,3-oxazol-5-yl)acetic acid?
The InChIKey is JFQNTUTWWNJLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c1-4-7-3-5(10-4)2-6(8)9/h3H,2H2,1H3,(H,8,9).
What are the key properties of 2-(2-methyl-1,3-oxazol-5-yl)acetic acid?
2-(2-methyl-1,3-oxazol-5-yl)acetic acid has a molecular weight of 141.13 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-oxazol-5-yl)acetic acid is sourced from PubChem (CID 58189150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).