2-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)acetic acid

C6H9NO3 — CID 84648831

IUPAC2-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)acetic acid
SMILESCC1CN=C(CC(=O)O)O1
InChIInChI=1S/C6H9NO3/c1-4-3-7-5(10-4)2-6(8)9/h4H,2-3H2,1H3,(H,8,9)
InChIKeySSZUJEDYCRXZSU-UHFFFAOYSA-N
MW143.14 g/mol
LogP0.28
Rot. Bonds2

About 2-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)acetic acid

2-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)acetic acid (PubChem CID 84648831) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 2-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)acetic acid
PubChem CID84648831
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name2-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)acetic acid
SMILESCC1CN=C(CC(=O)O)O1
InChIInChI=1S/C6H9NO3/c1-4-3-7-5(10-4)2-6(8)9/h4H,2-3H2,1H3,(H,8,9)
InChIKeySSZUJEDYCRXZSU-UHFFFAOYSA-N
XLogP0.28
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)acetic acid?
The IUPAC name of 2-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)acetic acid (CID 84648831) is 2-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)acetic acid.
What is the SMILES notation for 2-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)acetic acid?
The canonical SMILES for 2-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)acetic acid is CC1CN=C(CC(=O)O)O1.
What is the InChIKey of 2-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)acetic acid?
The InChIKey is SSZUJEDYCRXZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-4-3-7-5(10-4)2-6(8)9/h4H,2-3H2,1H3,(H,8,9).
What are the key properties of 2-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)acetic acid?
2-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)acetic acid has a molecular weight of 143.14 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)acetic acid is sourced from PubChem (CID 84648831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).