5-[3-(diethylcarbamoyl)-1,2-oxazol-4-yl]-1,2-oxazole-3-carboxamide

C12H14N4O4 — CID 67375713

IUPAC5-[3-(diethylcarbamoyl)-1,2-oxazol-4-yl]-1,2-oxazole-3-carboxamide
SMILESCCN(CC)C(=O)c1nocc1-c1cc(C(N)=O)no1
InChIInChI=1S/C12H14N4O4/c1-3-16(4-2)12(18)10-7(6-19-15-10)9-5-8(11(13)17)14-20-9/h5-6H,3-4H2,1-2H3,(H2,13,17)
InChIKeyAOOWSERIQYTYKM-UHFFFAOYSA-N
MW278.27 g/mol
LogP0.91
Rot. Bonds5

About 5-[3-(diethylcarbamoyl)-1,2-oxazol-4-yl]-1,2-oxazole-3-carboxamide

5-[3-(diethylcarbamoyl)-1,2-oxazol-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 67375713) has the molecular formula C12H14N4O4 and a molecular weight of 278.27 g/mol. Its IUPAC name is 5-[3-(diethylcarbamoyl)-1,2-oxazol-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[3-(diethylcarbamoyl)-1,2-oxazol-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID67375713
Molecular FormulaC12H14N4O4
Molecular Weight278.27 g/mol
Exact Mass278.10
IUPAC Name5-[3-(diethylcarbamoyl)-1,2-oxazol-4-yl]-1,2-oxazole-3-carboxamide
SMILESCCN(CC)C(=O)c1nocc1-c1cc(C(N)=O)no1
InChIInChI=1S/C12H14N4O4/c1-3-16(4-2)12(18)10-7(6-19-15-10)9-5-8(11(13)17)14-20-9/h5-6H,3-4H2,1-2H3,(H2,13,17)
InChIKeyAOOWSERIQYTYKM-UHFFFAOYSA-N
XLogP0.91
TPSA115.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(diethylcarbamoyl)-1,2-oxazol-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[3-(diethylcarbamoyl)-1,2-oxazol-4-yl]-1,2-oxazole-3-carboxamide (CID 67375713) is 5-[3-(diethylcarbamoyl)-1,2-oxazol-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[3-(diethylcarbamoyl)-1,2-oxazol-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[3-(diethylcarbamoyl)-1,2-oxazol-4-yl]-1,2-oxazole-3-carboxamide is CCN(CC)C(=O)c1nocc1-c1cc(C(N)=O)no1.
What is the InChIKey of 5-[3-(diethylcarbamoyl)-1,2-oxazol-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is AOOWSERIQYTYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4/c1-3-16(4-2)12(18)10-7(6-19-15-10)9-5-8(11(13)17)14-20-9/h5-6H,3-4H2,1-2H3,(H2,13,17).
What are the key properties of 5-[3-(diethylcarbamoyl)-1,2-oxazol-4-yl]-1,2-oxazole-3-carboxamide?
5-[3-(diethylcarbamoyl)-1,2-oxazol-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 278.27 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(diethylcarbamoyl)-1,2-oxazol-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 67375713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).