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

C8H12N4O2 — CID 130762934

IUPACN-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azetidine-3-carboxamide
SMILESCc1nonc1CNC(=O)C1CNC1
InChIInChI=1S/C8H12N4O2/c1-5-7(12-14-11-5)4-10-8(13)6-2-9-3-6/h6,9H,2-4H2,1H3,(H,10,13)
InChIKeyXVDMHRZLIZUAAC-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.79
Rot. Bonds3

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

N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azetidine-3-carboxamide (PubChem CID 130762934) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azetidine-3-carboxamide
PubChem CID130762934
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC NameN-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azetidine-3-carboxamide
SMILESCc1nonc1CNC(=O)C1CNC1
InChIInChI=1S/C8H12N4O2/c1-5-7(12-14-11-5)4-10-8(13)6-2-9-3-6/h6,9H,2-4H2,1H3,(H,10,13)
InChIKeyXVDMHRZLIZUAAC-UHFFFAOYSA-N
XLogP-0.79
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azetidine-3-carboxamide?
The IUPAC name of N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azetidine-3-carboxamide (CID 130762934) is N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azetidine-3-carboxamide.
What is the SMILES notation for N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azetidine-3-carboxamide?
The canonical SMILES for N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azetidine-3-carboxamide is Cc1nonc1CNC(=O)C1CNC1.
What is the InChIKey of N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azetidine-3-carboxamide?
The InChIKey is XVDMHRZLIZUAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-5-7(12-14-11-5)4-10-8(13)6-2-9-3-6/h6,9H,2-4H2,1H3,(H,10,13).
What are the key properties of N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azetidine-3-carboxamide?
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azetidine-3-carboxamide has a molecular weight of 196.21 g/mol, XLogP of -0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azetidine-3-carboxamide is sourced from PubChem (CID 130762934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).