3-[(5-methyl-1,2-oxazol-3-yl)amino]-2,3-dioxopropanoic acid

C7H6N2O5 — CID 130735467

IUPAC3-[(5-methyl-1,2-oxazol-3-yl)amino]-2,3-dioxopropanoic acid
SMILESCc1cc(NC(=O)C(=O)C(=O)O)no1
InChIInChI=1S/C7H6N2O5/c1-3-2-4(9-14-3)8-6(11)5(10)7(12)13/h2H,1H3,(H,12,13)(H,8,9,11)
InChIKeyQVCMKHWAPRJWIP-UHFFFAOYSA-N
MW198.13 g/mol
LogP-0.42
Rot. Bonds3

About 3-[(5-methyl-1,2-oxazol-3-yl)amino]-2,3-dioxopropanoic acid

3-[(5-methyl-1,2-oxazol-3-yl)amino]-2,3-dioxopropanoic acid (PubChem CID 130735467) has the molecular formula C7H6N2O5 and a molecular weight of 198.13 g/mol. Its IUPAC name is 3-[(5-methyl-1,2-oxazol-3-yl)amino]-2,3-dioxopropanoic acid.

Molecular Properties

Compound Name3-[(5-methyl-1,2-oxazol-3-yl)amino]-2,3-dioxopropanoic acid
PubChem CID130735467
Molecular FormulaC7H6N2O5
Molecular Weight198.13 g/mol
Exact Mass198.03
IUPAC Name3-[(5-methyl-1,2-oxazol-3-yl)amino]-2,3-dioxopropanoic acid
SMILESCc1cc(NC(=O)C(=O)C(=O)O)no1
InChIInChI=1S/C7H6N2O5/c1-3-2-4(9-14-3)8-6(11)5(10)7(12)13/h2H,1H3,(H,12,13)(H,8,9,11)
InChIKeyQVCMKHWAPRJWIP-UHFFFAOYSA-N
XLogP-0.42
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.13
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996069
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
N-(2-hydroxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 108514273
N'-(5-methyl-1,2-oxazol-3-yl)-N-(3-methylphenyl)oxamide
CID 44996030
2-(azetidin-3-ylidene)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 116674279
N-cyclopentyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996024
N'-butan-2-yl-N-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996041
(Z)-4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylphenyl)-2-oxobut-3-enamide
CID 91962863
N'-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]oxamide
CID 44996026
N-(3-chloropropyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 108513695
N-(5-methyl-1,2-oxazol-3-yl)-N',N'-bis(2-methylpropyl)oxamide
CID 47263951
2-[carboxymethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetic acid
CID 55245946

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,2-oxazol-3-yl)amino]-2,3-dioxopropanoic acid?
The IUPAC name of 3-[(5-methyl-1,2-oxazol-3-yl)amino]-2,3-dioxopropanoic acid (CID 130735467) is 3-[(5-methyl-1,2-oxazol-3-yl)amino]-2,3-dioxopropanoic acid.
What is the SMILES notation for 3-[(5-methyl-1,2-oxazol-3-yl)amino]-2,3-dioxopropanoic acid?
The canonical SMILES for 3-[(5-methyl-1,2-oxazol-3-yl)amino]-2,3-dioxopropanoic acid is Cc1cc(NC(=O)C(=O)C(=O)O)no1.
What is the InChIKey of 3-[(5-methyl-1,2-oxazol-3-yl)amino]-2,3-dioxopropanoic acid?
The InChIKey is QVCMKHWAPRJWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O5/c1-3-2-4(9-14-3)8-6(11)5(10)7(12)13/h2H,1H3,(H,12,13)(H,8,9,11).
What are the key properties of 3-[(5-methyl-1,2-oxazol-3-yl)amino]-2,3-dioxopropanoic acid?
3-[(5-methyl-1,2-oxazol-3-yl)amino]-2,3-dioxopropanoic acid has a molecular weight of 198.13 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,2-oxazol-3-yl)amino]-2,3-dioxopropanoic acid is sourced from PubChem (CID 130735467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).