2-[5-[(4-fluoro-2-methylanilino)methyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide

C19H19FN4O3 — CID 39948910

IUPAC2-[5-[(4-fluoro-2-methylanilino)methyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cc1noc(CNc2ccc(F)cc2C)n1
InChIInChI=1S/C19H19FN4O3/c1-12-9-13(20)7-8-14(12)21-11-19-23-17(24-27-19)10-18(25)22-15-5-3-4-6-16(15)26-2/h3-9,21H,10-11H2,1-2H3,(H,22,25)
InChIKeyLNFFDHSKGRYGHL-UHFFFAOYSA-N
MW370.38 g/mol
LogP3.32
Rot. Bonds7

About 2-[5-[(4-fluoro-2-methylanilino)methyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide

2-[5-[(4-fluoro-2-methylanilino)methyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 39948910) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is 2-[5-[(4-fluoro-2-methylanilino)methyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[5-[(4-fluoro-2-methylanilino)methyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID39948910
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC Name2-[5-[(4-fluoro-2-methylanilino)methyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cc1noc(CNc2ccc(F)cc2C)n1
InChIInChI=1S/C19H19FN4O3/c1-12-9-13(20)7-8-14(12)21-11-19-23-17(24-27-19)10-18(25)22-15-5-3-4-6-16(15)26-2/h3-9,21H,10-11H2,1-2H3,(H,22,25)
InChIKeyLNFFDHSKGRYGHL-UHFFFAOYSA-N
XLogP3.32
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-fluoro-2-methylanilino)methyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[5-[(4-fluoro-2-methylanilino)methyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide (CID 39948910) is 2-[5-[(4-fluoro-2-methylanilino)methyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[5-[(4-fluoro-2-methylanilino)methyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[5-[(4-fluoro-2-methylanilino)methyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)Cc1noc(CNc2ccc(F)cc2C)n1.
What is the InChIKey of 2-[5-[(4-fluoro-2-methylanilino)methyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is LNFFDHSKGRYGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-12-9-13(20)7-8-14(12)21-11-19-23-17(24-27-19)10-18(25)22-15-5-3-4-6-16(15)26-2/h3-9,21H,10-11H2,1-2H3,(H,22,25).
What are the key properties of 2-[5-[(4-fluoro-2-methylanilino)methyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide?
2-[5-[(4-fluoro-2-methylanilino)methyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 370.38 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-fluoro-2-methylanilino)methyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 39948910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).