3-methyl-N-(5-pentan-3-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide

C13H18N4O2 — CID 75374783

IUPAC3-methyl-N-(5-pentan-3-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide
SMILESCCC(CC)c1cc(NC(=O)c2cc(C)no2)n[nH]1
InChIInChI=1S/C13H18N4O2/c1-4-9(5-2)10-7-12(16-15-10)14-13(18)11-6-8(3)17-19-11/h6-7,9H,4-5H2,1-3H3,(H2,14,15,16,18)
InChIKeyFZXCMAREMJFHGF-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.86
Rot. Bonds5

About 3-methyl-N-(5-pentan-3-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide

3-methyl-N-(5-pentan-3-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide (PubChem CID 75374783) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-methyl-N-(5-pentan-3-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(5-pentan-3-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide
PubChem CID75374783
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name3-methyl-N-(5-pentan-3-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide
SMILESCCC(CC)c1cc(NC(=O)c2cc(C)no2)n[nH]1
InChIInChI=1S/C13H18N4O2/c1-4-9(5-2)10-7-12(16-15-10)14-13(18)11-6-8(3)17-19-11/h6-7,9H,4-5H2,1-3H3,(H2,14,15,16,18)
InChIKeyFZXCMAREMJFHGF-UHFFFAOYSA-N
XLogP2.86
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-pentan-3-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-(5-pentan-3-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide (CID 75374783) is 3-methyl-N-(5-pentan-3-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-(5-pentan-3-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-(5-pentan-3-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide is CCC(CC)c1cc(NC(=O)c2cc(C)no2)n[nH]1.
What is the InChIKey of 3-methyl-N-(5-pentan-3-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide?
The InChIKey is FZXCMAREMJFHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-4-9(5-2)10-7-12(16-15-10)14-13(18)11-6-8(3)17-19-11/h6-7,9H,4-5H2,1-3H3,(H2,14,15,16,18).
What are the key properties of 3-methyl-N-(5-pentan-3-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide?
3-methyl-N-(5-pentan-3-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-pentan-3-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 75374783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).