N-(3-bromophenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide

C16H11BrFN3O3 — CID 9038684

IUPACN-(3-bromophenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
SMILESO=C(Cn1nc(-c2ccc(F)cc2)oc1=O)Nc1cccc(Br)c1
InChIInChI=1S/C16H11BrFN3O3/c17-11-2-1-3-13(8-11)19-14(22)9-21-16(23)24-15(20-21)10-4-6-12(18)7-5-10/h1-8H,9H2,(H,19,22)
InChIKeyFJJDEZKDVWMOTC-UHFFFAOYSA-N
MW392.18 g/mol
LogP3.04
Rot. Bonds4

About N-(3-bromophenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide

N-(3-bromophenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide (PubChem CID 9038684) has the molecular formula C16H11BrFN3O3 and a molecular weight of 392.18 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
PubChem CID9038684
Molecular FormulaC16H11BrFN3O3
Molecular Weight392.18 g/mol
Exact Mass391.00
IUPAC NameN-(3-bromophenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
SMILESO=C(Cn1nc(-c2ccc(F)cc2)oc1=O)Nc1cccc(Br)c1
InChIInChI=1S/C16H11BrFN3O3/c17-11-2-1-3-13(8-11)19-14(22)9-21-16(23)24-15(20-21)10-4-6-12(18)7-5-10/h1-8H,9H2,(H,19,22)
InChIKeyFJJDEZKDVWMOTC-UHFFFAOYSA-N
XLogP3.04
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.18
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide (CID 9038684) is N-(3-bromophenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide is O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide?
The InChIKey is FJJDEZKDVWMOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFN3O3/c17-11-2-1-3-13(8-11)19-14(22)9-21-16(23)24-15(20-21)10-4-6-12(18)7-5-10/h1-8H,9H2,(H,19,22).
What are the key properties of N-(3-bromophenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide?
N-(3-bromophenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide has a molecular weight of 392.18 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 9038684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).