N-(diaminomethylidene)-2-(2,5-dichlorophenyl)-1,3-oxazole-4-carboxamide

C11H8Cl2N4O2 — CID 25103423

IUPACN-(diaminomethylidene)-2-(2,5-dichlorophenyl)-1,3-oxazole-4-carboxamide
SMILESNC(N)=NC(=O)c1coc(-c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C11H8Cl2N4O2/c12-5-1-2-7(13)6(3-5)10-16-8(4-19-10)9(18)17-11(14)15/h1-4H,(H4,14,15,17,18)
InChIKeyLDAOWBSTBKLLOC-UHFFFAOYSA-N
MW299.12 g/mol
LogP2.06
Rot. Bonds2

About N-(diaminomethylidene)-2-(2,5-dichlorophenyl)-1,3-oxazole-4-carboxamide

N-(diaminomethylidene)-2-(2,5-dichlorophenyl)-1,3-oxazole-4-carboxamide (PubChem CID 25103423) has the molecular formula C11H8Cl2N4O2 and a molecular weight of 299.12 g/mol. Its IUPAC name is N-(diaminomethylidene)-2-(2,5-dichlorophenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-2-(2,5-dichlorophenyl)-1,3-oxazole-4-carboxamide
PubChem CID25103423
Molecular FormulaC11H8Cl2N4O2
Molecular Weight299.12 g/mol
Exact Mass298.00
IUPAC NameN-(diaminomethylidene)-2-(2,5-dichlorophenyl)-1,3-oxazole-4-carboxamide
SMILESNC(N)=NC(=O)c1coc(-c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C11H8Cl2N4O2/c12-5-1-2-7(13)6(3-5)10-16-8(4-19-10)9(18)17-11(14)15/h1-4H,(H4,14,15,17,18)
InChIKeyLDAOWBSTBKLLOC-UHFFFAOYSA-N
XLogP2.06
TPSA107.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(diaminomethylidene)-2-(5-fluoro-2-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 25103537
N-(diaminomethylidene)-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 11483373
2-amino-5-chloro-N-(diaminomethylidene)benzamide
CID 11806026
N-(diaminomethylidene)-4-(2,5-dichlorophenyl)-1-benzothiophene-2-carboxamide
CID 11525441
ethyl 2-(2-chlorophenyl)-1,3-oxazole-4-carboxylate
CID 53407303
1-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]ethanone
CID 115084507
2-(4-aminophenyl)-N-(4-chlorophenyl)-1,3-oxazole-4-carboxamide
CID 3857565
5-chloro-2-(2,5-dichlorophenyl)benzoic acid
CID 39233778
5-chloro-N-(diaminomethylidene)-1-methylindole-2-carboxamide
CID 15290298
2-(2,5-dichlorophenyl)-2-oxoacetamide
CID 139220452
2-[5-chloro-1-(2-methylpropyl)indol-3-yl]-1,3-oxazole-4-carbonyl chloride
CID 59139740
2-[[amino-(diaminomethylideneamino)methylidene]amino]-5-chlorobenzoic acid
CID 168605986

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-2-(2,5-dichlorophenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(diaminomethylidene)-2-(2,5-dichlorophenyl)-1,3-oxazole-4-carboxamide (CID 25103423) is N-(diaminomethylidene)-2-(2,5-dichlorophenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-2-(2,5-dichlorophenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-2-(2,5-dichlorophenyl)-1,3-oxazole-4-carboxamide is NC(N)=NC(=O)c1coc(-c2cc(Cl)ccc2Cl)n1.
What is the InChIKey of N-(diaminomethylidene)-2-(2,5-dichlorophenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is LDAOWBSTBKLLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N4O2/c12-5-1-2-7(13)6(3-5)10-16-8(4-19-10)9(18)17-11(14)15/h1-4H,(H4,14,15,17,18).
What are the key properties of N-(diaminomethylidene)-2-(2,5-dichlorophenyl)-1,3-oxazole-4-carboxamide?
N-(diaminomethylidene)-2-(2,5-dichlorophenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 299.12 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-2-(2,5-dichlorophenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 25103423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).