N-[2-methyl-2-(1,2-oxazole-3-carbonylamino)butyl]-1,2-oxazole-3-carboxamide

C13H16N4O4 — CID 71918343

IUPACN-[2-methyl-2-(1,2-oxazole-3-carbonylamino)butyl]-1,2-oxazole-3-carboxamide
SMILESCCC(C)(CNC(=O)c1ccon1)NC(=O)c1ccon1
InChIInChI=1S/C13H16N4O4/c1-3-13(2,15-12(19)10-5-7-21-17-10)8-14-11(18)9-4-6-20-16-9/h4-7H,3,8H2,1-2H3,(H,14,18)(H,15,19)
InChIKeyOEZQNQILKJAJKL-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.99
Rot. Bonds6

About N-[2-methyl-2-(1,2-oxazole-3-carbonylamino)butyl]-1,2-oxazole-3-carboxamide

N-[2-methyl-2-(1,2-oxazole-3-carbonylamino)butyl]-1,2-oxazole-3-carboxamide (PubChem CID 71918343) has the molecular formula C13H16N4O4 and a molecular weight of 292.29 g/mol. Its IUPAC name is N-[2-methyl-2-(1,2-oxazole-3-carbonylamino)butyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-2-(1,2-oxazole-3-carbonylamino)butyl]-1,2-oxazole-3-carboxamide
PubChem CID71918343
Molecular FormulaC13H16N4O4
Molecular Weight292.29 g/mol
Exact Mass292.12
IUPAC NameN-[2-methyl-2-(1,2-oxazole-3-carbonylamino)butyl]-1,2-oxazole-3-carboxamide
SMILESCCC(C)(CNC(=O)c1ccon1)NC(=O)c1ccon1
InChIInChI=1S/C13H16N4O4/c1-3-13(2,15-12(19)10-5-7-21-17-10)8-14-11(18)9-4-6-20-16-9/h4-7H,3,8H2,1-2H3,(H,14,18)(H,15,19)
InChIKeyOEZQNQILKJAJKL-UHFFFAOYSA-N
XLogP0.99
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-(1,2-oxazole-3-carbonylamino)butyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-methyl-2-(1,2-oxazole-3-carbonylamino)butyl]-1,2-oxazole-3-carboxamide (CID 71918343) is N-[2-methyl-2-(1,2-oxazole-3-carbonylamino)butyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-methyl-2-(1,2-oxazole-3-carbonylamino)butyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-methyl-2-(1,2-oxazole-3-carbonylamino)butyl]-1,2-oxazole-3-carboxamide is CCC(C)(CNC(=O)c1ccon1)NC(=O)c1ccon1.
What is the InChIKey of N-[2-methyl-2-(1,2-oxazole-3-carbonylamino)butyl]-1,2-oxazole-3-carboxamide?
The InChIKey is OEZQNQILKJAJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-3-13(2,15-12(19)10-5-7-21-17-10)8-14-11(18)9-4-6-20-16-9/h4-7H,3,8H2,1-2H3,(H,14,18)(H,15,19).
What are the key properties of N-[2-methyl-2-(1,2-oxazole-3-carbonylamino)butyl]-1,2-oxazole-3-carboxamide?
N-[2-methyl-2-(1,2-oxazole-3-carbonylamino)butyl]-1,2-oxazole-3-carboxamide has a molecular weight of 292.29 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-(1,2-oxazole-3-carbonylamino)butyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71918343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).