3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide

C9H9N3O3 — CID 2744827

IUPAC3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide
SMILESCc1cc(-c2onc(C)c2C(N)=O)no1
InChIInChI=1S/C9H9N3O3/c1-4-3-6(12-14-4)8-7(9(10)13)5(2)11-15-8/h3H,1-2H3,(H2,10,13)
InChIKeyRQURJQSVMDTCFV-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.05
Rot. Bonds2

About 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide

3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide (PubChem CID 2744827) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide
PubChem CID2744827
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide
SMILESCc1cc(-c2onc(C)c2C(N)=O)no1
InChIInChI=1S/C9H9N3O3/c1-4-3-6(12-14-4)8-7(9(10)13)5(2)11-15-8/h3H,1-2H3,(H2,10,13)
InChIKeyRQURJQSVMDTCFV-UHFFFAOYSA-N
XLogP1.05
TPSA95.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide (CID 2744827) is 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide is Cc1cc(-c2onc(C)c2C(N)=O)no1.
What is the InChIKey of 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is RQURJQSVMDTCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c1-4-3-6(12-14-4)8-7(9(10)13)5(2)11-15-8/h3H,1-2H3,(H2,10,13).
What are the key properties of 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide?
3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 207.19 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2744827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).