4-(2-fluorophenyl)-4-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide

C19H16FN3O3 — CID 110606896

IUPAC4-(2-fluorophenyl)-4-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide
SMILESO=C(CCC(=O)c1ccccc1F)NCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C19H16FN3O3/c20-15-9-5-4-8-14(15)16(24)10-11-17(25)21-12-18-22-23-19(26-18)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,21,25)
InChIKeyWLBOFUWXZNAJKS-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.15
Rot. Bonds7

About 4-(2-fluorophenyl)-4-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide

4-(2-fluorophenyl)-4-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide (PubChem CID 110606896) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-4-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-4-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide
PubChem CID110606896
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC Name4-(2-fluorophenyl)-4-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide
SMILESO=C(CCC(=O)c1ccccc1F)NCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C19H16FN3O3/c20-15-9-5-4-8-14(15)16(24)10-11-17(25)21-12-18-22-23-19(26-18)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,21,25)
InChIKeyWLBOFUWXZNAJKS-UHFFFAOYSA-N
XLogP3.15
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methylphenyl)-4-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide
CID 110606895
3-(2-fluorophenyl)-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide
CID 46956959
4-(2-fluorophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxobutanamide
CID 110632195
2,3-difluoro-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 146126861
4-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide
CID 110615805
2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110408532
N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-phenoxyacetamide
CID 110319129
N-benzyl-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110333973
1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110318453
2-fluoro-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318527
2-(2-methoxyphenoxy)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110318462
4-(2-fluorophenyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxobutanamide
CID 110610667

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-4-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide?
The IUPAC name of 4-(2-fluorophenyl)-4-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide (CID 110606896) is 4-(2-fluorophenyl)-4-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide.
What is the SMILES notation for 4-(2-fluorophenyl)-4-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide?
The canonical SMILES for 4-(2-fluorophenyl)-4-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide is O=C(CCC(=O)c1ccccc1F)NCc1nnc(-c2ccccc2)o1.
What is the InChIKey of 4-(2-fluorophenyl)-4-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide?
The InChIKey is WLBOFUWXZNAJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3/c20-15-9-5-4-8-14(15)16(24)10-11-17(25)21-12-18-22-23-19(26-18)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,21,25).
What are the key properties of 4-(2-fluorophenyl)-4-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide?
4-(2-fluorophenyl)-4-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide has a molecular weight of 353.35 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-4-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide is sourced from PubChem (CID 110606896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).