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

C16H10FN5O2 — CID 135515055

IUPACN-[4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide
SMILESO=C(Nc1nonc1-c1nc2ccccc2[nH]1)c1ccc(F)cc1
InChIInChI=1S/C16H10FN5O2/c17-10-7-5-9(6-8-10)16(23)20-15-13(21-24-22-15)14-18-11-3-1-2-4-12(11)19-14/h1-8H,(H,18,19)(H,20,22,23)
InChIKeyUJMPGDLDHZTBCM-UHFFFAOYSA-N
MW323.29 g/mol
LogP3.00
Rot. Bonds3

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

N-[4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide (PubChem CID 135515055) has the molecular formula C16H10FN5O2 and a molecular weight of 323.29 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide
PubChem CID135515055
Molecular FormulaC16H10FN5O2
Molecular Weight323.29 g/mol
Exact Mass323.08
IUPAC NameN-[4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide
SMILESO=C(Nc1nonc1-c1nc2ccccc2[nH]1)c1ccc(F)cc1
InChIInChI=1S/C16H10FN5O2/c17-10-7-5-9(6-8-10)16(23)20-15-13(21-24-22-15)14-18-11-3-1-2-4-12(11)19-14/h1-8H,(H,18,19)(H,20,22,23)
InChIKeyUJMPGDLDHZTBCM-UHFFFAOYSA-N
XLogP3.00
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.29
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide (CID 135515055) is N-[4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide is O=C(Nc1nonc1-c1nc2ccccc2[nH]1)c1ccc(F)cc1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide?
The InChIKey is UJMPGDLDHZTBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN5O2/c17-10-7-5-9(6-8-10)16(23)20-15-13(21-24-22-15)14-18-11-3-1-2-4-12(11)19-14/h1-8H,(H,18,19)(H,20,22,23).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide?
N-[4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide has a molecular weight of 323.29 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide is sourced from PubChem (CID 135515055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).