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

C20H20FN3O2 — CID 5307743

IUPAC5-[(4-fluorophenyl)methyl]-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazole-2-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1nnc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C20H20FN3O2/c1-14(7-8-15-5-3-2-4-6-15)22-19(25)20-24-23-18(26-20)13-16-9-11-17(21)12-10-16/h2-6,9-12,14H,7-8,13H2,1H3,(H,22,25)
InChIKeyRXJWMZINVGYZAC-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.55
Rot. Bonds7

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

5-[(4-fluorophenyl)methyl]-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 5307743) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID5307743
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name5-[(4-fluorophenyl)methyl]-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazole-2-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1nnc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C20H20FN3O2/c1-14(7-8-15-5-3-2-4-6-15)22-19(25)20-24-23-18(26-20)13-16-9-11-17(21)12-10-16/h2-6,9-12,14H,7-8,13H2,1H3,(H,22,25)
InChIKeyRXJWMZINVGYZAC-UHFFFAOYSA-N
XLogP3.55
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazole-2-carboxamide (CID 5307743) is 5-[(4-fluorophenyl)methyl]-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazole-2-carboxamide is CC(CCc1ccccc1)NC(=O)c1nnc(Cc2ccc(F)cc2)o1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is RXJWMZINVGYZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-14(7-8-15-5-3-2-4-6-15)22-19(25)20-24-23-18(26-20)13-16-9-11-17(21)12-10-16/h2-6,9-12,14H,7-8,13H2,1H3,(H,22,25).
What are the key properties of 5-[(4-fluorophenyl)methyl]-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazole-2-carboxamide?
5-[(4-fluorophenyl)methyl]-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 5307743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).