4-amino-N-[(4-chlorophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide

C10H9ClN4O2 — CID 822753

IUPAC4-amino-N-[(4-chlorophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C10H9ClN4O2/c11-7-3-1-6(2-4-7)5-13-10(16)8-9(12)15-17-14-8/h1-4H,5H2,(H2,12,15)(H,13,16)
InChIKeyWIWIWZDRJHCWJZ-UHFFFAOYSA-N
MW252.66 g/mol
LogP1.24
Rot. Bonds3

About 4-amino-N-[(4-chlorophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide

4-amino-N-[(4-chlorophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 822753) has the molecular formula C10H9ClN4O2 and a molecular weight of 252.66 g/mol. Its IUPAC name is 4-amino-N-[(4-chlorophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4-chlorophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID822753
Molecular FormulaC10H9ClN4O2
Molecular Weight252.66 g/mol
Exact Mass252.04
IUPAC Name4-amino-N-[(4-chlorophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C10H9ClN4O2/c11-7-3-1-6(2-4-7)5-13-10(16)8-9(12)15-17-14-8/h1-4H,5H2,(H2,12,15)(H,13,16)
InChIKeyWIWIWZDRJHCWJZ-UHFFFAOYSA-N
XLogP1.24
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-chlorophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-[(4-chlorophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide (CID 822753) is 4-amino-N-[(4-chlorophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(4-chlorophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[(4-chlorophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide is Nc1nonc1C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 4-amino-N-[(4-chlorophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is WIWIWZDRJHCWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2/c11-7-3-1-6(2-4-7)5-13-10(16)8-9(12)15-17-14-8/h1-4H,5H2,(H2,12,15)(H,13,16).
What are the key properties of 4-amino-N-[(4-chlorophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-[(4-chlorophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 252.66 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-chlorophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 822753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).