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

C14H12FN5O2 — CID 25283200

IUPACN-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-fluorobenzamide
SMILESCc1cc(-c2nnc(NC(=O)c3ccccc3F)o2)nn1C
InChIInChI=1S/C14H12FN5O2/c1-8-7-11(19-20(8)2)13-17-18-14(22-13)16-12(21)9-5-3-4-6-10(9)15/h3-7H,1-2H3,(H,16,18,21)
InChIKeyIMUHFTURDIDCQM-UHFFFAOYSA-N
MW301.28 g/mol
LogP2.17
Rot. Bonds3

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

N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-fluorobenzamide (PubChem CID 25283200) has the molecular formula C14H12FN5O2 and a molecular weight of 301.28 g/mol. Its IUPAC name is N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-fluorobenzamide
PubChem CID25283200
Molecular FormulaC14H12FN5O2
Molecular Weight301.28 g/mol
Exact Mass301.10
IUPAC NameN-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-fluorobenzamide
SMILESCc1cc(-c2nnc(NC(=O)c3ccccc3F)o2)nn1C
InChIInChI=1S/C14H12FN5O2/c1-8-7-11(19-20(8)2)13-17-18-14(22-13)16-12(21)9-5-3-4-6-10(9)15/h3-7H,1-2H3,(H,16,18,21)
InChIKeyIMUHFTURDIDCQM-UHFFFAOYSA-N
XLogP2.17
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-fluorobenzamide?
The IUPAC name of N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-fluorobenzamide (CID 25283200) is N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-fluorobenzamide?
The canonical SMILES for N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-fluorobenzamide is Cc1cc(-c2nnc(NC(=O)c3ccccc3F)o2)nn1C.
What is the InChIKey of N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-fluorobenzamide?
The InChIKey is IMUHFTURDIDCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O2/c1-8-7-11(19-20(8)2)13-17-18-14(22-13)16-12(21)9-5-3-4-6-10(9)15/h3-7H,1-2H3,(H,16,18,21).
What are the key properties of N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-fluorobenzamide?
N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-fluorobenzamide has a molecular weight of 301.28 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-fluorobenzamide is sourced from PubChem (CID 25283200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).