N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

C15H18N4O4 — CID 91775243

About N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 91775243) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
• PubChem CID: 91775243
• Molecular Formula: C15H18N4O4
• Molecular Weight: 318.33 g/mol
• Exact Mass: 318.13
• IUPAC Name: N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
• SMILES: COc1cncc(C(NC(=O)c2nonc2C)C2CC(O)C2)c1
• InChI: InChI=1S/C15H18N4O4/c1-8-13(19-23-18-8)15(21)17-14(9-3-11(20)4-9)10-5-12(22-2)7-16-6-10/h5-7,9,11,14,20H,3-4H2,1-2H3,(H,17,21)
• InChIKey: VTDILWGCYZUMMD-UHFFFAOYSA-N
• XLogP: 1.02
• TPSA: 110.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	318.33
LogP ≤ 5	1.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?

The IUPAC name of N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (CID 91775243) is N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

What is the SMILES notation for N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?

The canonical SMILES for N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is COc1cncc(C(NC(=O)c2nonc2C)C2CC(O)C2)c1.

What is the InChIKey of N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?

The InChIKey is VTDILWGCYZUMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4/c1-8-13(19-23-18-8)15(21)17-14(9-3-11(20)4-9)10-5-12(22-2)7-16-6-10/h5-7,9,11,14,20H,3-4H2,1-2H3,(H,17,21).

What are the key properties of N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?

N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 318.33 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 91775243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).