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

C10H6ClN5O2 — CID 107808049

IUPAC4-amino-N-(2-chloro-4-cyanophenyl)-1,2,5-oxadiazole-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2nonc2N)c(Cl)c1
InChIInChI=1S/C10H6ClN5O2/c11-6-3-5(4-12)1-2-7(6)14-10(17)8-9(13)16-18-15-8/h1-3H,(H2,13,16)(H,14,17)
InChIKeyPUPJJOJMZMVHCD-UHFFFAOYSA-N
MW263.64 g/mol
LogP1.43
Rot. Bonds2

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

4-amino-N-(2-chloro-4-cyanophenyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 107808049) has the molecular formula C10H6ClN5O2 and a molecular weight of 263.64 g/mol. Its IUPAC name is 4-amino-N-(2-chloro-4-cyanophenyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-chloro-4-cyanophenyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID107808049
Molecular FormulaC10H6ClN5O2
Molecular Weight263.64 g/mol
Exact Mass263.02
IUPAC Name4-amino-N-(2-chloro-4-cyanophenyl)-1,2,5-oxadiazole-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2nonc2N)c(Cl)c1
InChIInChI=1S/C10H6ClN5O2/c11-6-3-5(4-12)1-2-7(6)14-10(17)8-9(13)16-18-15-8/h1-3H,(H2,13,16)(H,14,17)
InChIKeyPUPJJOJMZMVHCD-UHFFFAOYSA-N
XLogP1.43
TPSA117.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.64
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide
CID 62688499
4-amino-N-(2-chloro-4-methylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687766
4-amino-N-(2,4,5-trichlorophenyl)-1,2,5-oxadiazole-3-carboxamide
CID 55103950
4-amino-N-(2-chloro-4-cyanophenyl)pyridine-2-carboxamide
CID 107810218
2-amino-N-(2-chloro-4-cyanophenyl)pyridine-4-carboxamide
CID 107810212
6-amino-N-(2-chloro-4-cyanophenyl)pyridine-3-carboxamide
CID 107810194
2-amino-4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 107806873
4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799745
5-chloro-N-(2-chloro-4-cyanophenyl)pyridine-2-carboxamide
CID 103811024
2,5-dichloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799731
N-(2-chloro-4-cyanophenyl)-2,6-dihydroxybenzamide
CID 107808194
N-(2-chloro-4-cyanophenyl)-1H-indazole-3-carboxamide
CID 107809699

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-chloro-4-cyanophenyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2-chloro-4-cyanophenyl)-1,2,5-oxadiazole-3-carboxamide (CID 107808049) is 4-amino-N-(2-chloro-4-cyanophenyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-chloro-4-cyanophenyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-chloro-4-cyanophenyl)-1,2,5-oxadiazole-3-carboxamide is N#Cc1ccc(NC(=O)c2nonc2N)c(Cl)c1.
What is the InChIKey of 4-amino-N-(2-chloro-4-cyanophenyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is PUPJJOJMZMVHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN5O2/c11-6-3-5(4-12)1-2-7(6)14-10(17)8-9(13)16-18-15-8/h1-3H,(H2,13,16)(H,14,17).
What are the key properties of 4-amino-N-(2-chloro-4-cyanophenyl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(2-chloro-4-cyanophenyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 263.64 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-chloro-4-cyanophenyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 107808049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).