5-[[(5-tert-butyl-1,3-oxazole-2-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide

C13H16N4O4 — CID 71853554

IUPAC5-[[(5-tert-butyl-1,3-oxazole-2-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)(C)c1cnc(C(=O)NCc2cc(C(N)=O)no2)o1
InChIInChI=1S/C13H16N4O4/c1-13(2,3)9-6-16-12(20-9)11(19)15-5-7-4-8(10(14)18)17-21-7/h4,6H,5H2,1-3H3,(H2,14,18)(H,15,19)
InChIKeyMEWVKKOIXFYUKV-UHFFFAOYSA-N
MW292.30 g/mol
LogP0.99
Rot. Bonds4

About 5-[[(5-tert-butyl-1,3-oxazole-2-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide

5-[[(5-tert-butyl-1,3-oxazole-2-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 71853554) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is 5-[[(5-tert-butyl-1,3-oxazole-2-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[(5-tert-butyl-1,3-oxazole-2-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide
PubChem CID71853554
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name5-[[(5-tert-butyl-1,3-oxazole-2-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)(C)c1cnc(C(=O)NCc2cc(C(N)=O)no2)o1
InChIInChI=1S/C13H16N4O4/c1-13(2,3)9-6-16-12(20-9)11(19)15-5-7-4-8(10(14)18)17-21-7/h4,6H,5H2,1-3H3,(H2,14,18)(H,15,19)
InChIKeyMEWVKKOIXFYUKV-UHFFFAOYSA-N
XLogP0.99
TPSA124.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[(5-tert-butyl-1,3-oxazole-2-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[(5-tert-butyl-1,3-oxazole-2-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide (CID 71853554) is 5-[[(5-tert-butyl-1,3-oxazole-2-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[(5-tert-butyl-1,3-oxazole-2-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[(5-tert-butyl-1,3-oxazole-2-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide is CC(C)(C)c1cnc(C(=O)NCc2cc(C(N)=O)no2)o1.
What is the InChIKey of 5-[[(5-tert-butyl-1,3-oxazole-2-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is MEWVKKOIXFYUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-13(2,3)9-6-16-12(20-9)11(19)15-5-7-4-8(10(14)18)17-21-7/h4,6H,5H2,1-3H3,(H2,14,18)(H,15,19).
What are the key properties of 5-[[(5-tert-butyl-1,3-oxazole-2-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide?
5-[[(5-tert-butyl-1,3-oxazole-2-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 292.30 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-tert-butyl-1,3-oxazole-2-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71853554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).