4-chloro-N-[5-[(6-chloro-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide

C15H10Cl2N4O2 — CID 11393935

IUPAC4-chloro-N-[5-[(6-chloro-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(Cc2ccc(Cl)nc2)o1)c1ccc(Cl)cc1
InChIInChI=1S/C15H10Cl2N4O2/c16-11-4-2-10(3-5-11)14(22)19-15-21-20-13(23-15)7-9-1-6-12(17)18-8-9/h1-6,8H,7H2,(H,19,21,22)
InChIKeyBYJWMXBIRIRUFO-UHFFFAOYSA-N
MW349.18 g/mol
LogP3.61
Rot. Bonds4

About 4-chloro-N-[5-[(6-chloro-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide

4-chloro-N-[5-[(6-chloro-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 11393935) has the molecular formula C15H10Cl2N4O2 and a molecular weight of 349.18 g/mol. Its IUPAC name is 4-chloro-N-[5-[(6-chloro-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[5-[(6-chloro-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID11393935
Molecular FormulaC15H10Cl2N4O2
Molecular Weight349.18 g/mol
Exact Mass348.02
IUPAC Name4-chloro-N-[5-[(6-chloro-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(Cc2ccc(Cl)nc2)o1)c1ccc(Cl)cc1
InChIInChI=1S/C15H10Cl2N4O2/c16-11-4-2-10(3-5-11)14(22)19-15-21-20-13(23-15)7-9-1-6-12(17)18-8-9/h1-6,8H,7H2,(H,19,21,22)
InChIKeyBYJWMXBIRIRUFO-UHFFFAOYSA-N
XLogP3.61
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43973708
4-chloro-N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41179333
4-chloro-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 11078012
4-acetyl-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43973731
methyl 4-[[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate
CID 43973752
3-chloro-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43973710
methyl 4-[[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate
CID 43973208
N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 43973690
methyl 4-[[5-[(4-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate
CID 146021024
4-butoxy-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43973453
N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylbenzamide
CID 16917609
4-ethoxy-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43975408

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-[(6-chloro-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[5-[(6-chloro-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide (CID 11393935) is 4-chloro-N-[5-[(6-chloro-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[5-[(6-chloro-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[5-[(6-chloro-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide is O=C(Nc1nnc(Cc2ccc(Cl)nc2)o1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[5-[(6-chloro-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is BYJWMXBIRIRUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N4O2/c16-11-4-2-10(3-5-11)14(22)19-15-21-20-13(23-15)7-9-1-6-12(17)18-8-9/h1-6,8H,7H2,(H,19,21,22).
What are the key properties of 4-chloro-N-[5-[(6-chloro-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
4-chloro-N-[5-[(6-chloro-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 349.18 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-[(6-chloro-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 11393935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).