[5-[2-(2,6-dichloro-3-methylanilino)phenyl]-1,3,4-oxadiazol-2-yl]cyanamide

C16H11Cl2N5O — CID 14951371

IUPAC[5-[2-(2,6-dichloro-3-methylanilino)phenyl]-1,3,4-oxadiazol-2-yl]cyanamide
SMILESCc1ccc(Cl)c(Nc2ccccc2-c2nnc(NC#N)o2)c1Cl
InChIInChI=1S/C16H11Cl2N5O/c1-9-6-7-11(17)14(13(9)18)21-12-5-3-2-4-10(12)15-22-23-16(24-15)20-8-19/h2-7,21H,1H3,(H,20,23)
InChIKeyNHRBGODRNWECEP-UHFFFAOYSA-N
MW360.20 g/mol
LogP4.99
Rot. Bonds4

About [5-[2-(2,6-dichloro-3-methylanilino)phenyl]-1,3,4-oxadiazol-2-yl]cyanamide

[5-[2-(2,6-dichloro-3-methylanilino)phenyl]-1,3,4-oxadiazol-2-yl]cyanamide (PubChem CID 14951371) has the molecular formula C16H11Cl2N5O and a molecular weight of 360.20 g/mol. Its IUPAC name is [5-[2-(2,6-dichloro-3-methylanilino)phenyl]-1,3,4-oxadiazol-2-yl]cyanamide.

Molecular Properties

Compound Name[5-[2-(2,6-dichloro-3-methylanilino)phenyl]-1,3,4-oxadiazol-2-yl]cyanamide
PubChem CID14951371
Molecular FormulaC16H11Cl2N5O
Molecular Weight360.20 g/mol
Exact Mass359.03
IUPAC Name[5-[2-(2,6-dichloro-3-methylanilino)phenyl]-1,3,4-oxadiazol-2-yl]cyanamide
SMILESCc1ccc(Cl)c(Nc2ccccc2-c2nnc(NC#N)o2)c1Cl
InChIInChI=1S/C16H11Cl2N5O/c1-9-6-7-11(17)14(13(9)18)21-12-5-3-2-4-10(12)15-22-23-16(24-15)20-8-19/h2-7,21H,1H3,(H,20,23)
InChIKeyNHRBGODRNWECEP-UHFFFAOYSA-N
XLogP4.99
TPSA86.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

5-[2-[[3-(Trifluoromethyl)phenyl]amino]phenyl]-1,3,4-oxadiazol-2-yl-cyanamide
CID 14951370
1-(2-Chlorophenyl)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]urea
CID 2127565
N-(2-chlorophenyl)-N'-(5-phenyl-1,3,4-oxadiazol-2-yl)urea
CID 5309939
5-(4-chlorophenyl)-N-phenyl-1,3,4-oxadiazol-2-amine
CID 4800452
N,5-bis(4-chlorophenyl)-1,3,4-oxadiazol-2-amine
CID 49858062
5-[2-(2,6-Dichloro-3-methylanilino)phenyl]-1,3,4-oxadiazol-2-amine
CID 14951344
1-(5-(2,4-Dichlorophenyl)-1,3,4-oxadiazol-2-yl)-3-(4-fluorophenyl)urea
CID 52906592
4-chloro-N-(2-(5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl)phenyl)benzamide
CID 2799925
5-(2,4-dichlorophenyl)-N-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 354053
5-(2,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine
CID 354056
N-[[2-(5-amino-1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]-2-chloro-4,5-difluorobenzamide
CID 21883898
5-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine
CID 155811575

Frequently Asked Questions

What is the IUPAC name of [5-[2-(2,6-dichloro-3-methylanilino)phenyl]-1,3,4-oxadiazol-2-yl]cyanamide?
The IUPAC name of [5-[2-(2,6-dichloro-3-methylanilino)phenyl]-1,3,4-oxadiazol-2-yl]cyanamide (CID 14951371) is [5-[2-(2,6-dichloro-3-methylanilino)phenyl]-1,3,4-oxadiazol-2-yl]cyanamide.
What is the SMILES notation for [5-[2-(2,6-dichloro-3-methylanilino)phenyl]-1,3,4-oxadiazol-2-yl]cyanamide?
The canonical SMILES for [5-[2-(2,6-dichloro-3-methylanilino)phenyl]-1,3,4-oxadiazol-2-yl]cyanamide is Cc1ccc(Cl)c(Nc2ccccc2-c2nnc(NC#N)o2)c1Cl.
What is the InChIKey of [5-[2-(2,6-dichloro-3-methylanilino)phenyl]-1,3,4-oxadiazol-2-yl]cyanamide?
The InChIKey is NHRBGODRNWECEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N5O/c1-9-6-7-11(17)14(13(9)18)21-12-5-3-2-4-10(12)15-22-23-16(24-15)20-8-19/h2-7,21H,1H3,(H,20,23).
What are the key properties of [5-[2-(2,6-dichloro-3-methylanilino)phenyl]-1,3,4-oxadiazol-2-yl]cyanamide?
[5-[2-(2,6-dichloro-3-methylanilino)phenyl]-1,3,4-oxadiazol-2-yl]cyanamide has a molecular weight of 360.20 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(2,6-dichloro-3-methylanilino)phenyl]-1,3,4-oxadiazol-2-yl]cyanamide is sourced from PubChem (CID 14951371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).