2-[benzyl(methyl)amino]-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide

C21H23N3O3 — CID 1480149

IUPAC2-[benzyl(methyl)amino]-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide
SMILESCOc1ccc(-c2cc(CNC(=O)CN(C)Cc3ccccc3)on2)cc1
InChIInChI=1S/C21H23N3O3/c1-24(14-16-6-4-3-5-7-16)15-21(25)22-13-19-12-20(23-27-19)17-8-10-18(26-2)11-9-17/h3-12H,13-15H2,1-2H3,(H,22,25)
InChIKeySNIWDIHXWLYMHU-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.10
Rot. Bonds8

About 2-[benzyl(methyl)amino]-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide

2-[benzyl(methyl)amino]-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide (PubChem CID 1480149) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide
PubChem CID1480149
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-[benzyl(methyl)amino]-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide
SMILESCOc1ccc(-c2cc(CNC(=O)CN(C)Cc3ccccc3)on2)cc1
InChIInChI=1S/C21H23N3O3/c1-24(14-16-6-4-3-5-7-16)15-21(25)22-13-19-12-20(23-27-19)17-8-10-18(26-2)11-9-17/h3-12H,13-15H2,1-2H3,(H,22,25)
InChIKeySNIWDIHXWLYMHU-UHFFFAOYSA-N
XLogP3.10
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide (CID 1480149) is 2-[benzyl(methyl)amino]-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide is COc1ccc(-c2cc(CNC(=O)CN(C)Cc3ccccc3)on2)cc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide?
The InChIKey is SNIWDIHXWLYMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-24(14-16-6-4-3-5-7-16)15-21(25)22-13-19-12-20(23-27-19)17-8-10-18(26-2)11-9-17/h3-12H,13-15H2,1-2H3,(H,22,25).
What are the key properties of 2-[benzyl(methyl)amino]-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide?
2-[benzyl(methyl)amino]-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide has a molecular weight of 365.43 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide is sourced from PubChem (CID 1480149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).