5-methyl-1,2-oxazole-3,4-dicarboxamide

C6H7N3O3 — CID 1489841

IUPAC5-methyl-1,2-oxazole-3,4-dicarboxamide
SMILESCc1onc(C(N)=O)c1C(N)=O
InChIInChI=1S/C6H7N3O3/c1-2-3(5(7)10)4(6(8)11)9-12-2/h1H3,(H2,7,10)(H2,8,11)
InChIKeyBNPNRCBWTDXXLP-UHFFFAOYSA-N
MW169.14 g/mol
LogP-0.82
Rot. Bonds2

About 5-methyl-1,2-oxazole-3,4-dicarboxamide

5-methyl-1,2-oxazole-3,4-dicarboxamide (PubChem CID 1489841) has the molecular formula C6H7N3O3 and a molecular weight of 169.14 g/mol. Its IUPAC name is 5-methyl-1,2-oxazole-3,4-dicarboxamide.

Molecular Properties

Compound Name5-methyl-1,2-oxazole-3,4-dicarboxamide
PubChem CID1489841
Molecular FormulaC6H7N3O3
Molecular Weight169.14 g/mol
Exact Mass169.05
IUPAC Name5-methyl-1,2-oxazole-3,4-dicarboxamide
SMILESCc1onc(C(N)=O)c1C(N)=O
InChIInChI=1S/C6H7N3O3/c1-2-3(5(7)10)4(6(8)11)9-12-2/h1H3,(H2,7,10)(H2,8,11)
InChIKeyBNPNRCBWTDXXLP-UHFFFAOYSA-N
XLogP-0.82
TPSA112.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-methyl-1,2-oxazole-4-carboxamide
CID 118920356
4-(hydrazinecarbonyl)-5-methyl-1,2-oxazole-3-carboxylic acid
CID 66545777
4-amino-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 67264142
4,5-dimethyl-1,2-oxazole-3-carboxylic acid
CID 7018552
4,5-dimethyl-1,2-oxazole-3-carboxylate
CID 7018551
ethyl 4,5-dimethyl-1,2-oxazole-3-carboxylate
CID 11629661
3-bromo-5-methyl-1,2-oxazole-4-carboxylic acid
CID 10798301
5-methyl-4-nitroso-1,2-oxazole-3-carboxylic acid
CID 174891313
ethyl 3-benzoyl-5-methyl-1,2-oxazole-4-carboxylate
CID 102300604
tert-butyl N-(4-carbamoyl-1,2,5-oxadiazol-3-yl)carbamate
CID 143009004
2-bromo-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 88995965
3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid
CID 2063310

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,2-oxazole-3,4-dicarboxamide?
The IUPAC name of 5-methyl-1,2-oxazole-3,4-dicarboxamide (CID 1489841) is 5-methyl-1,2-oxazole-3,4-dicarboxamide.
What is the SMILES notation for 5-methyl-1,2-oxazole-3,4-dicarboxamide?
The canonical SMILES for 5-methyl-1,2-oxazole-3,4-dicarboxamide is Cc1onc(C(N)=O)c1C(N)=O.
What is the InChIKey of 5-methyl-1,2-oxazole-3,4-dicarboxamide?
The InChIKey is BNPNRCBWTDXXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3/c1-2-3(5(7)10)4(6(8)11)9-12-2/h1H3,(H2,7,10)(H2,8,11).
What are the key properties of 5-methyl-1,2-oxazole-3,4-dicarboxamide?
5-methyl-1,2-oxazole-3,4-dicarboxamide has a molecular weight of 169.14 g/mol, XLogP of -0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,2-oxazole-3,4-dicarboxamide is sourced from PubChem (CID 1489841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).