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

C18H16FN3O4 — CID 7597320

IUPACN-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
SMILESCOc1cc(OC)cc(-c2nnc(NC(=O)Cc3ccc(F)cc3)o2)c1
InChIInChI=1S/C18H16FN3O4/c1-24-14-8-12(9-15(10-14)25-2)17-21-22-18(26-17)20-16(23)7-11-3-5-13(19)6-4-11/h3-6,8-10H,7H2,1-2H3,(H,20,22,23)
InChIKeyXRCRLODIDWNKCH-UHFFFAOYSA-N
MW357.34 g/mol
LogP3.07
Rot. Bonds6

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

N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 7597320) has the molecular formula C18H16FN3O4 and a molecular weight of 357.34 g/mol. Its IUPAC name is N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
PubChem CID7597320
Molecular FormulaC18H16FN3O4
Molecular Weight357.34 g/mol
Exact Mass357.11
IUPAC NameN-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
SMILESCOc1cc(OC)cc(-c2nnc(NC(=O)Cc3ccc(F)cc3)o2)c1
InChIInChI=1S/C18H16FN3O4/c1-24-14-8-12(9-15(10-14)25-2)17-21-22-18(26-17)20-16(23)7-11-3-5-13(19)6-4-11/h3-6,8-10H,7H2,1-2H3,(H,20,22,23)
InChIKeyXRCRLODIDWNKCH-UHFFFAOYSA-N
XLogP3.07
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide (CID 7597320) is N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide is COc1cc(OC)cc(-c2nnc(NC(=O)Cc3ccc(F)cc3)o2)c1.
What is the InChIKey of N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is XRCRLODIDWNKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O4/c1-24-14-8-12(9-15(10-14)25-2)17-21-22-18(26-17)20-16(23)7-11-3-5-13(19)6-4-11/h3-6,8-10H,7H2,1-2H3,(H,20,22,23).
What are the key properties of N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide?
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 357.34 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 7597320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).