3-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-1,2-oxazole-5-carboxamide

C12H16N4O2 — CID 49265721

IUPAC3-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2nccn2CC(C)C)on1
InChIInChI=1S/C12H16N4O2/c1-8(2)7-16-5-4-13-12(16)14-11(17)10-6-9(3)15-18-10/h4-6,8H,7H2,1-3H3,(H,13,14,17)
InChIKeyXGCAFRZBJYGPAG-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.09
Rot. Bonds4

About 3-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-1,2-oxazole-5-carboxamide

3-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-1,2-oxazole-5-carboxamide (PubChem CID 49265721) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 3-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-1,2-oxazole-5-carboxamide
PubChem CID49265721
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name3-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2nccn2CC(C)C)on1
InChIInChI=1S/C12H16N4O2/c1-8(2)7-16-5-4-13-12(16)14-11(17)10-6-9(3)15-18-10/h4-6,8H,7H2,1-3H3,(H,13,14,17)
InChIKeyXGCAFRZBJYGPAG-UHFFFAOYSA-N
XLogP2.09
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-1,2-oxazole-5-carboxamide (CID 49265721) is 3-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2nccn2CC(C)C)on1.
What is the InChIKey of 3-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is XGCAFRZBJYGPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-8(2)7-16-5-4-13-12(16)14-11(17)10-6-9(3)15-18-10/h4-6,8H,7H2,1-3H3,(H,13,14,17).
What are the key properties of 3-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-1,2-oxazole-5-carboxamide?
3-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 49265721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).