1-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]imidazole-4-carboxamide

C16H18N6O2 — CID 122138041

IUPAC1-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]imidazole-4-carboxamide
SMILESCC(C)C(NC(=O)c1cn(C)cn1)c1nc(-c2cccnc2)no1
InChIInChI=1S/C16H18N6O2/c1-10(2)13(19-15(23)12-8-22(3)9-18-12)16-20-14(21-24-16)11-5-4-6-17-7-11/h4-10,13H,1-3H3,(H,19,23)
InChIKeyJAXBKPIVWMUYIJ-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.99
Rot. Bonds5

About 1-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]imidazole-4-carboxamide

1-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]imidazole-4-carboxamide (PubChem CID 122138041) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 1-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]imidazole-4-carboxamide
PubChem CID122138041
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name1-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]imidazole-4-carboxamide
SMILESCC(C)C(NC(=O)c1cn(C)cn1)c1nc(-c2cccnc2)no1
InChIInChI=1S/C16H18N6O2/c1-10(2)13(19-15(23)12-8-22(3)9-18-12)16-20-14(21-24-16)11-5-4-6-17-7-11/h4-10,13H,1-3H3,(H,19,23)
InChIKeyJAXBKPIVWMUYIJ-UHFFFAOYSA-N
XLogP1.99
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]imidazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]imidazole-4-carboxamide (CID 122138041) is 1-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]imidazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]imidazole-4-carboxamide is CC(C)C(NC(=O)c1cn(C)cn1)c1nc(-c2cccnc2)no1.
What is the InChIKey of 1-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]imidazole-4-carboxamide?
The InChIKey is JAXBKPIVWMUYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-10(2)13(19-15(23)12-8-22(3)9-18-12)16-20-14(21-24-16)11-5-4-6-17-7-11/h4-10,13H,1-3H3,(H,19,23).
What are the key properties of 1-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]imidazole-4-carboxamide?
1-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]imidazole-4-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]imidazole-4-carboxamide is sourced from PubChem (CID 122138041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).