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

C9H7ClN4O2 — CID 44597276

IUPAC4-amino-N-(3-chlorophenyl)-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C9H7ClN4O2/c10-5-2-1-3-6(4-5)12-9(15)7-8(11)14-16-13-7/h1-4H,(H2,11,14)(H,12,15)
InChIKeyIXZJVURCJZIZNO-UHFFFAOYSA-N
MW238.63 g/mol
LogP1.56
Rot. Bonds2

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

4-amino-N-(3-chlorophenyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 44597276) has the molecular formula C9H7ClN4O2 and a molecular weight of 238.63 g/mol. Its IUPAC name is 4-amino-N-(3-chlorophenyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-chlorophenyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID44597276
Molecular FormulaC9H7ClN4O2
Molecular Weight238.63 g/mol
Exact Mass238.03
IUPAC Name4-amino-N-(3-chlorophenyl)-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C9H7ClN4O2/c10-5-2-1-3-6(4-5)12-9(15)7-8(11)14-16-13-7/h1-4H,(H2,11,14)(H,12,15)
InChIKeyIXZJVURCJZIZNO-UHFFFAOYSA-N
XLogP1.56
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-chlorophenyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(3-chlorophenyl)-1,2,5-oxadiazole-3-carboxamide (CID 44597276) is 4-amino-N-(3-chlorophenyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(3-chlorophenyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(3-chlorophenyl)-1,2,5-oxadiazole-3-carboxamide is Nc1nonc1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 4-amino-N-(3-chlorophenyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is IXZJVURCJZIZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4O2/c10-5-2-1-3-6(4-5)12-9(15)7-8(11)14-16-13-7/h1-4H,(H2,11,14)(H,12,15).
What are the key properties of 4-amino-N-(3-chlorophenyl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(3-chlorophenyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 238.63 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-chlorophenyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 44597276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).