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

C20H18FN3O4 — CID 110610667

IUPAC4-(2-fluorophenyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxobutanamide
SMILESCOc1ccc(-c2noc(CNC(=O)CCC(=O)c3ccccc3F)n2)cc1
InChIInChI=1S/C20H18FN3O4/c1-27-14-8-6-13(7-9-14)20-23-19(28-24-20)12-22-18(26)11-10-17(25)15-4-2-3-5-16(15)21/h2-9H,10-12H2,1H3,(H,22,26)
InChIKeyBRZXQPYWTDOLLJ-UHFFFAOYSA-N
MW383.38 g/mol
LogP3.16
Rot. Bonds8

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

4-(2-fluorophenyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxobutanamide (PubChem CID 110610667) has the molecular formula C20H18FN3O4 and a molecular weight of 383.38 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxobutanamide
PubChem CID110610667
Molecular FormulaC20H18FN3O4
Molecular Weight383.38 g/mol
Exact Mass383.13
IUPAC Name4-(2-fluorophenyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxobutanamide
SMILESCOc1ccc(-c2noc(CNC(=O)CCC(=O)c3ccccc3F)n2)cc1
InChIInChI=1S/C20H18FN3O4/c1-27-14-8-6-13(7-9-14)20-23-19(28-24-20)12-22-18(26)11-10-17(25)15-4-2-3-5-16(15)21/h2-9H,10-12H2,1H3,(H,22,26)
InChIKeyBRZXQPYWTDOLLJ-UHFFFAOYSA-N
XLogP3.16
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-fluorophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxobutanamide
CID 110632195
3-benzylsulfanyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 8798123
N-[2-(2-fluorophenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 51312188
2-iodo-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 50874673
N-[2-(2-fluorophenyl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110411078
4-(2-fluorophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 110632193
2-(4-chlorophenoxy)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 2990154
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylurea
CID 8895828
3-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 71668568
N-[(5-bromo-2-fluorophenyl)methyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55595156
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenoxybutanamide
CID 110293525
benzyl N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate
CID 110323055

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxobutanamide?
The IUPAC name of 4-(2-fluorophenyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxobutanamide (CID 110610667) is 4-(2-fluorophenyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxobutanamide.
What is the SMILES notation for 4-(2-fluorophenyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxobutanamide?
The canonical SMILES for 4-(2-fluorophenyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxobutanamide is COc1ccc(-c2noc(CNC(=O)CCC(=O)c3ccccc3F)n2)cc1.
What is the InChIKey of 4-(2-fluorophenyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxobutanamide?
The InChIKey is BRZXQPYWTDOLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O4/c1-27-14-8-6-13(7-9-14)20-23-19(28-24-20)12-22-18(26)11-10-17(25)15-4-2-3-5-16(15)21/h2-9H,10-12H2,1H3,(H,22,26).
What are the key properties of 4-(2-fluorophenyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxobutanamide?
4-(2-fluorophenyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxobutanamide has a molecular weight of 383.38 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxobutanamide is sourced from PubChem (CID 110610667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).