5-methyl-N-[1-(1-methylpyrazol-4-yl)propyl]-1,3-oxazole-4-carboxamide

C12H16N4O2 — CID 45234777

IUPAC5-methyl-N-[1-(1-methylpyrazol-4-yl)propyl]-1,3-oxazole-4-carboxamide
SMILESCCC(NC(=O)c1ncoc1C)c1cnn(C)c1
InChIInChI=1S/C12H16N4O2/c1-4-10(9-5-14-16(3)6-9)15-12(17)11-8(2)18-7-13-11/h5-7,10H,4H2,1-3H3,(H,15,17)
InChIKeyOQEQRMUFTKABDO-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.60
Rot. Bonds4

About 5-methyl-N-[1-(1-methylpyrazol-4-yl)propyl]-1,3-oxazole-4-carboxamide

5-methyl-N-[1-(1-methylpyrazol-4-yl)propyl]-1,3-oxazole-4-carboxamide (PubChem CID 45234777) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 5-methyl-N-[1-(1-methylpyrazol-4-yl)propyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-(1-methylpyrazol-4-yl)propyl]-1,3-oxazole-4-carboxamide
PubChem CID45234777
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name5-methyl-N-[1-(1-methylpyrazol-4-yl)propyl]-1,3-oxazole-4-carboxamide
SMILESCCC(NC(=O)c1ncoc1C)c1cnn(C)c1
InChIInChI=1S/C12H16N4O2/c1-4-10(9-5-14-16(3)6-9)15-12(17)11-8(2)18-7-13-11/h5-7,10H,4H2,1-3H3,(H,15,17)
InChIKeyOQEQRMUFTKABDO-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(1-methylpyrazol-4-yl)propyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[1-(1-methylpyrazol-4-yl)propyl]-1,3-oxazole-4-carboxamide (CID 45234777) is 5-methyl-N-[1-(1-methylpyrazol-4-yl)propyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-(1-methylpyrazol-4-yl)propyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[1-(1-methylpyrazol-4-yl)propyl]-1,3-oxazole-4-carboxamide is CCC(NC(=O)c1ncoc1C)c1cnn(C)c1.
What is the InChIKey of 5-methyl-N-[1-(1-methylpyrazol-4-yl)propyl]-1,3-oxazole-4-carboxamide?
The InChIKey is OQEQRMUFTKABDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-4-10(9-5-14-16(3)6-9)15-12(17)11-8(2)18-7-13-11/h5-7,10H,4H2,1-3H3,(H,15,17).
What are the key properties of 5-methyl-N-[1-(1-methylpyrazol-4-yl)propyl]-1,3-oxazole-4-carboxamide?
5-methyl-N-[1-(1-methylpyrazol-4-yl)propyl]-1,3-oxazole-4-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(1-methylpyrazol-4-yl)propyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 45234777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).