sodium 5-methyl-1,3-oxazole-4-carboxylate

C5H4NNaO3 — CID 23713962

IUPACsodium 5-methyl-1,3-oxazole-4-carboxylate
SMILESCc1ocnc1C(=O)[O-].[Na+]
InChIInChI=1S/C5H5NO3.Na/c1-3-4(5(7)8)6-2-9-3;/h2H,1H3,(H,7,8);/q;+1/p-1
InChIKeyGBBDPLGAAHBKBX-UHFFFAOYSA-M
MW149.08 g/mol
LogP-3.65
Rot. Bonds1

About sodium 5-methyl-1,3-oxazole-4-carboxylate

sodium 5-methyl-1,3-oxazole-4-carboxylate (PubChem CID 23713962) has the molecular formula C5H4NNaO3 and a molecular weight of 149.08 g/mol. Its IUPAC name is sodium 5-methyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namesodium 5-methyl-1,3-oxazole-4-carboxylate
PubChem CID23713962
Molecular FormulaC5H4NNaO3
Molecular Weight149.08 g/mol
Exact Mass149.01
IUPAC Namesodium 5-methyl-1,3-oxazole-4-carboxylate
SMILESCc1ocnc1C(=O)[O-].[Na+]
InChIInChI=1S/C5H5NO3.Na/c1-3-4(5(7)8)6-2-9-3;/h2H,1H3,(H,7,8);/q;+1/p-1
InChIKeyGBBDPLGAAHBKBX-UHFFFAOYSA-M
XLogP-3.65
TPSA66.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.08
LogP ≤ 5-3.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium 5-methyl-1,3-oxazole-4-carboxylate?
The IUPAC name of sodium 5-methyl-1,3-oxazole-4-carboxylate (CID 23713962) is sodium 5-methyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for sodium 5-methyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for sodium 5-methyl-1,3-oxazole-4-carboxylate is Cc1ocnc1C(=O)[O-].[Na+].
What is the InChIKey of sodium 5-methyl-1,3-oxazole-4-carboxylate?
The InChIKey is GBBDPLGAAHBKBX-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H5NO3.Na/c1-3-4(5(7)8)6-2-9-3;/h2H,1H3,(H,7,8);/q;+1/p-1.
What are the key properties of sodium 5-methyl-1,3-oxazole-4-carboxylate?
sodium 5-methyl-1,3-oxazole-4-carboxylate has a molecular weight of 149.08 g/mol, XLogP of -3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-methyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 23713962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).