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

C10H14N4O3 — CID 71785489

IUPAC1-acetyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)NCc2nc(C)no2)C1
InChIInChI=1S/C10H14N4O3/c1-6-12-9(17-13-6)3-11-10(16)8-4-14(5-8)7(2)15/h8H,3-5H2,1-2H3,(H,11,16)
InChIKeyMWIXGECMYAGQIE-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.53
Rot. Bonds3

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

1-acetyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide (PubChem CID 71785489) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-acetyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide
PubChem CID71785489
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name1-acetyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)NCc2nc(C)no2)C1
InChIInChI=1S/C10H14N4O3/c1-6-12-9(17-13-6)3-11-10(16)8-4-14(5-8)7(2)15/h8H,3-5H2,1-2H3,(H,11,16)
InChIKeyMWIXGECMYAGQIE-UHFFFAOYSA-N
XLogP-0.53
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide (CID 71785489) is 1-acetyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide is CC(=O)N1CC(C(=O)NCc2nc(C)no2)C1.
What is the InChIKey of 1-acetyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide?
The InChIKey is MWIXGECMYAGQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-6-12-9(17-13-6)3-11-10(16)8-4-14(5-8)7(2)15/h8H,3-5H2,1-2H3,(H,11,16).
What are the key properties of 1-acetyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide?
1-acetyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide has a molecular weight of 238.25 g/mol, XLogP of -0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide is sourced from PubChem (CID 71785489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).