2,4-dichloro-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]benzamide

C14H11Cl2N5O2 — CID 25283138

IUPAC2,4-dichloro-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1cc(-c2nnc(NC(=O)c3ccc(Cl)cc3Cl)o2)nn1C
InChIInChI=1S/C14H11Cl2N5O2/c1-7-5-11(20-21(7)2)13-18-19-14(23-13)17-12(22)9-4-3-8(15)6-10(9)16/h3-6H,1-2H3,(H,17,19,22)
InChIKeyYSEGANPIJGQZKY-UHFFFAOYSA-N
MW352.18 g/mol
LogP3.34
Rot. Bonds3

About 2,4-dichloro-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]benzamide

2,4-dichloro-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 25283138) has the molecular formula C14H11Cl2N5O2 and a molecular weight of 352.18 g/mol. Its IUPAC name is 2,4-dichloro-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID25283138
Molecular FormulaC14H11Cl2N5O2
Molecular Weight352.18 g/mol
Exact Mass351.03
IUPAC Name2,4-dichloro-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1cc(-c2nnc(NC(=O)c3ccc(Cl)cc3Cl)o2)nn1C
InChIInChI=1S/C14H11Cl2N5O2/c1-7-5-11(20-21(7)2)13-18-19-14(23-13)17-12(22)9-4-3-8(15)6-10(9)16/h3-6H,1-2H3,(H,17,19,22)
InChIKeyYSEGANPIJGQZKY-UHFFFAOYSA-N
XLogP3.34
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]benzamide (CID 25283138) is 2,4-dichloro-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]benzamide is Cc1cc(-c2nnc(NC(=O)c3ccc(Cl)cc3Cl)o2)nn1C.
What is the InChIKey of 2,4-dichloro-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is YSEGANPIJGQZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N5O2/c1-7-5-11(20-21(7)2)13-18-19-14(23-13)17-12(22)9-4-3-8(15)6-10(9)16/h3-6H,1-2H3,(H,17,19,22).
What are the key properties of 2,4-dichloro-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]benzamide?
2,4-dichloro-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 352.18 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 25283138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).