5-(3-fluorophenyl)-N-(4-propan-2-yloxyphenyl)-1,3,4-oxadiazole-2-carboxamide

C18H16FN3O3 — CID 110392539

IUPAC5-(3-fluorophenyl)-N-(4-propan-2-yloxyphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2nnc(-c3cccc(F)c3)o2)cc1
InChIInChI=1S/C18H16FN3O3/c1-11(2)24-15-8-6-14(7-9-15)20-16(23)18-22-21-17(25-18)12-4-3-5-13(19)10-12/h3-11H,1-2H3,(H,20,23)
InChIKeyRPXXXYUPSSFHPZ-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.92
Rot. Bonds5

About 5-(3-fluorophenyl)-N-(4-propan-2-yloxyphenyl)-1,3,4-oxadiazole-2-carboxamide

5-(3-fluorophenyl)-N-(4-propan-2-yloxyphenyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110392539) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N-(4-propan-2-yloxyphenyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(3-fluorophenyl)-N-(4-propan-2-yloxyphenyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110392539
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Name5-(3-fluorophenyl)-N-(4-propan-2-yloxyphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2nnc(-c3cccc(F)c3)o2)cc1
InChIInChI=1S/C18H16FN3O3/c1-11(2)24-15-8-6-14(7-9-15)20-16(23)18-22-21-17(25-18)12-4-3-5-13(19)10-12/h3-11H,1-2H3,(H,20,23)
InChIKeyRPXXXYUPSSFHPZ-UHFFFAOYSA-N
XLogP3.92
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392549
5-(3-fluorophenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110392496
N-(3-bromophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392563
N-(3-chlorophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392521
5-(3-fluorophenyl)-N-(2-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392497
N-(4-acetylphenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391980
6-N-(3-fluorophenyl)-2-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide
CID 109100999
N-(4-cyanophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392024
N-(5-chloro-2-methoxyphenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392529
5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 69195393
N-[4-(difluoromethoxy)phenyl]-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3385104
N-(4-acetamidophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392173

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-N-(4-propan-2-yloxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(3-fluorophenyl)-N-(4-propan-2-yloxyphenyl)-1,3,4-oxadiazole-2-carboxamide (CID 110392539) is 5-(3-fluorophenyl)-N-(4-propan-2-yloxyphenyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(3-fluorophenyl)-N-(4-propan-2-yloxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(3-fluorophenyl)-N-(4-propan-2-yloxyphenyl)-1,3,4-oxadiazole-2-carboxamide is CC(C)Oc1ccc(NC(=O)c2nnc(-c3cccc(F)c3)o2)cc1.
What is the InChIKey of 5-(3-fluorophenyl)-N-(4-propan-2-yloxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is RPXXXYUPSSFHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-11(2)24-15-8-6-14(7-9-15)20-16(23)18-22-21-17(25-18)12-4-3-5-13(19)10-12/h3-11H,1-2H3,(H,20,23).
What are the key properties of 5-(3-fluorophenyl)-N-(4-propan-2-yloxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
5-(3-fluorophenyl)-N-(4-propan-2-yloxyphenyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 341.34 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-N-(4-propan-2-yloxyphenyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110392539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).