N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide

C23H26N2O4 — CID 55897982

IUPACN-[2-(2-methoxyphenoxy)ethyl]-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
SMILESCOc1ccccc1OCCN(C)C(=O)CCCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C23H26N2O4/c1-25(15-16-28-20-12-7-6-11-19(20)27-2)23(26)14-8-13-22-24-17-21(29-22)18-9-4-3-5-10-18/h3-7,9-12,17H,8,13-16H2,1-2H3
InChIKeyBQIJQAMONANSRG-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.21
Rot. Bonds10

About N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide

N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide (PubChem CID 55897982) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenoxy)ethyl]-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
PubChem CID55897982
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC NameN-[2-(2-methoxyphenoxy)ethyl]-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
SMILESCOc1ccccc1OCCN(C)C(=O)CCCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C23H26N2O4/c1-25(15-16-28-20-12-7-6-11-19(20)27-2)23(26)14-8-13-22-24-17-21(29-22)18-9-4-3-5-10-18/h3-7,9-12,17H,8,13-16H2,1-2H3
InChIKeyBQIJQAMONANSRG-UHFFFAOYSA-N
XLogP4.21
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide (CID 55897982) is N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide.
What is the SMILES notation for N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The canonical SMILES for N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide is COc1ccccc1OCCN(C)C(=O)CCCc1ncc(-c2ccccc2)o1.
What is the InChIKey of N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The InChIKey is BQIJQAMONANSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-25(15-16-28-20-12-7-6-11-19(20)27-2)23(26)14-8-13-22-24-17-21(29-22)18-9-4-3-5-10-18/h3-7,9-12,17H,8,13-16H2,1-2H3.
What are the key properties of N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide has a molecular weight of 394.47 g/mol, XLogP of 4.21, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide is sourced from PubChem (CID 55897982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).