N-[(3-bromophenyl)methyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carboxamide

C16H11BrFN3O2 — CID 83278386

IUPACN-[(3-bromophenyl)methyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NCc1cccc(Br)c1)c1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H11BrFN3O2/c17-12-3-1-2-10(8-12)9-19-15(22)14-20-16(23-21-14)11-4-6-13(18)7-5-11/h1-8H,9H2,(H,19,22)
InChIKeyHGMJZDQVRAZHHA-UHFFFAOYSA-N
MW376.19 g/mol
LogP3.57
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carboxamide

N-[(3-bromophenyl)methyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carboxamide (PubChem CID 83278386) has the molecular formula C16H11BrFN3O2 and a molecular weight of 376.19 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carboxamide
PubChem CID83278386
Molecular FormulaC16H11BrFN3O2
Molecular Weight376.19 g/mol
Exact Mass375.00
IUPAC NameN-[(3-bromophenyl)methyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NCc1cccc(Br)c1)c1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H11BrFN3O2/c17-12-3-1-2-10(8-12)9-19-15(22)14-20-16(23-21-14)11-4-6-13(18)7-5-11/h1-8H,9H2,(H,19,22)
InChIKeyHGMJZDQVRAZHHA-UHFFFAOYSA-N
XLogP3.57
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.19
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carboxamide (CID 83278386) is N-[(3-bromophenyl)methyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carboxamide is O=C(NCc1cccc(Br)c1)c1noc(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is HGMJZDQVRAZHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFN3O2/c17-12-3-1-2-10(8-12)9-19-15(22)14-20-16(23-21-14)11-4-6-13(18)7-5-11/h1-8H,9H2,(H,19,22).
What are the key properties of N-[(3-bromophenyl)methyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carboxamide?
N-[(3-bromophenyl)methyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 376.19 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 83278386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).