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

C20H21FN4O3 — CID 2563406

IUPAC2-[ethyl-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]-N-(4-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)Cc1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C20H21FN4O3/c1-3-25(12-18(26)22-16-8-10-17(27-2)11-9-16)13-19-23-24-20(28-19)14-4-6-15(21)7-5-14/h4-11H,3,12-13H2,1-2H3,(H,22,26)
InChIKeyLMBHEVPFKSYNGL-UHFFFAOYSA-N
MW384.41 g/mol
LogP3.34
Rot. Bonds8

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

2-[ethyl-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]-N-(4-methoxyphenyl)acetamide (PubChem CID 2563406) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is 2-[ethyl-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]-N-(4-methoxyphenyl)acetamide
PubChem CID2563406
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Name2-[ethyl-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]-N-(4-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)Cc1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C20H21FN4O3/c1-3-25(12-18(26)22-16-8-10-17(27-2)11-9-16)13-19-23-24-20(28-19)14-4-6-15(21)7-5-14/h4-11H,3,12-13H2,1-2H3,(H,22,26)
InChIKeyLMBHEVPFKSYNGL-UHFFFAOYSA-N
XLogP3.34
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[ethyl-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]-N-(4-methoxyphenyl)acetamide (CID 2563406) is 2-[ethyl-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[ethyl-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[ethyl-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]-N-(4-methoxyphenyl)acetamide is CCN(CC(=O)Nc1ccc(OC)cc1)Cc1nnc(-c2ccc(F)cc2)o1.
What is the InChIKey of 2-[ethyl-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is LMBHEVPFKSYNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c1-3-25(12-18(26)22-16-8-10-17(27-2)11-9-16)13-19-23-24-20(28-19)14-4-6-15(21)7-5-14/h4-11H,3,12-13H2,1-2H3,(H,22,26).
What are the key properties of 2-[ethyl-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]-N-(4-methoxyphenyl)acetamide?
2-[ethyl-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 384.41 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 2563406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).