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

C7H11ClN4O3 — CID 137238705

IUPACN-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]azetidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1noc(=O)[nH]1)C1CNC1
InChIInChI=1S/C7H10N4O3.ClH/c12-6(4-1-8-2-4)9-3-5-10-7(13)14-11-5;/h4,8H,1-3H2,(H,9,12)(H,10,11,13);1H
InChIKeyBJNOCBIDCLHZNZ-UHFFFAOYSA-N
MW234.64 g/mol
LogP-1.38
Rot. Bonds3

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

N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]azetidine-3-carboxamide;hydrochloride (PubChem CID 137238705) has the molecular formula C7H11ClN4O3 and a molecular weight of 234.64 g/mol. Its IUPAC name is N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]azetidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]azetidine-3-carboxamide;hydrochloride
PubChem CID137238705
Molecular FormulaC7H11ClN4O3
Molecular Weight234.64 g/mol
Exact Mass234.05
IUPAC NameN-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]azetidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1noc(=O)[nH]1)C1CNC1
InChIInChI=1S/C7H10N4O3.ClH/c12-6(4-1-8-2-4)9-3-5-10-7(13)14-11-5;/h4,8H,1-3H2,(H,9,12)(H,10,11,13);1H
InChIKeyBJNOCBIDCLHZNZ-UHFFFAOYSA-N
XLogP-1.38
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.64
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]azetidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]azetidine-3-carboxamide;hydrochloride (CID 137238705) is N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]azetidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]azetidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]azetidine-3-carboxamide;hydrochloride is Cl.O=C(NCc1noc(=O)[nH]1)C1CNC1.
What is the InChIKey of N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]azetidine-3-carboxamide;hydrochloride?
The InChIKey is BJNOCBIDCLHZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3.ClH/c12-6(4-1-8-2-4)9-3-5-10-7(13)14-11-5;/h4,8H,1-3H2,(H,9,12)(H,10,11,13);1H.
What are the key properties of N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]azetidine-3-carboxamide;hydrochloride?
N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]azetidine-3-carboxamide;hydrochloride has a molecular weight of 234.64 g/mol, XLogP of -1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]azetidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 137238705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).