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

C19H17F2N3O2 — CID 110632193

IUPAC4-(2-fluorophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
SMILESO=C(CCCc1ccccc1F)NCc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C19H17F2N3O2/c20-15-10-8-14(9-11-15)19-23-18(26-24-19)12-22-17(25)7-3-5-13-4-1-2-6-16(13)21/h1-2,4,6,8-11H,3,5,7,12H2,(H,22,25)
InChIKeyVDJKMENILIABTA-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.65
Rot. Bonds7

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

4-(2-fluorophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide (PubChem CID 110632193) has the molecular formula C19H17F2N3O2 and a molecular weight of 357.36 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
PubChem CID110632193
Molecular FormulaC19H17F2N3O2
Molecular Weight357.36 g/mol
Exact Mass357.13
IUPAC Name4-(2-fluorophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
SMILESO=C(CCCc1ccccc1F)NCc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C19H17F2N3O2/c20-15-10-8-14(9-11-15)19-23-18(26-24-19)12-22-17(25)7-3-5-13-4-1-2-6-16(13)21/h1-2,4,6,8-11H,3,5,7,12H2,(H,22,25)
InChIKeyVDJKMENILIABTA-UHFFFAOYSA-N
XLogP3.65
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-fluorophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxobutanamide
CID 110632195
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenoxybutanamide
CID 110293525
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyethyl)butanamide
CID 78874390
N-[2-(2-fluorophenyl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9474336
3-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 71668568
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylbutanamide
CID 38886258
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 83289940
4-(2-fluorophenyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxobutanamide
CID 110610667
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-pentylbutanamide
CID 38885235
N-(2-amino-2-methylpropyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 119628613
N-[2-(2-fluorophenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 51312188
N-[2-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]ethyl]furan-2-carboxamide
CID 55688084

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide?
The IUPAC name of 4-(2-fluorophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide (CID 110632193) is 4-(2-fluorophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide.
What is the SMILES notation for 4-(2-fluorophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide?
The canonical SMILES for 4-(2-fluorophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide is O=C(CCCc1ccccc1F)NCc1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of 4-(2-fluorophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide?
The InChIKey is VDJKMENILIABTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2/c20-15-10-8-14(9-11-15)19-23-18(26-24-19)12-22-17(25)7-3-5-13-4-1-2-6-16(13)21/h1-2,4,6,8-11H,3,5,7,12H2,(H,22,25).
What are the key properties of 4-(2-fluorophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide?
4-(2-fluorophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide has a molecular weight of 357.36 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide is sourced from PubChem (CID 110632193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).