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

C17H23N3O3 — CID 51050443

IUPAC2-(diethylamino)-N-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide
SMILESCCN(CC)CC(=O)NCc1cc(-c2ccccc2OC)no1
InChIInChI=1S/C17H23N3O3/c1-4-20(5-2)12-17(21)18-11-13-10-15(19-23-13)14-8-6-7-9-16(14)22-3/h6-10H,4-5,11-12H2,1-3H3,(H,18,21)
InChIKeyJMNJVDBKYKXYSL-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.31
Rot. Bonds8

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

2-(diethylamino)-N-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide (PubChem CID 51050443) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(diethylamino)-N-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide
PubChem CID51050443
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-(diethylamino)-N-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide
SMILESCCN(CC)CC(=O)NCc1cc(-c2ccccc2OC)no1
InChIInChI=1S/C17H23N3O3/c1-4-20(5-2)12-17(21)18-11-13-10-15(19-23-13)14-8-6-7-9-16(14)22-3/h6-10H,4-5,11-12H2,1-3H3,(H,18,21)
InChIKeyJMNJVDBKYKXYSL-UHFFFAOYSA-N
XLogP2.31
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide?
The IUPAC name of 2-(diethylamino)-N-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide (CID 51050443) is 2-(diethylamino)-N-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide.
What is the SMILES notation for 2-(diethylamino)-N-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide?
The canonical SMILES for 2-(diethylamino)-N-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide is CCN(CC)CC(=O)NCc1cc(-c2ccccc2OC)no1.
What is the InChIKey of 2-(diethylamino)-N-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide?
The InChIKey is JMNJVDBKYKXYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-4-20(5-2)12-17(21)18-11-13-10-15(19-23-13)14-8-6-7-9-16(14)22-3/h6-10H,4-5,11-12H2,1-3H3,(H,18,21).
What are the key properties of 2-(diethylamino)-N-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide?
2-(diethylamino)-N-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide has a molecular weight of 317.39 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide is sourced from PubChem (CID 51050443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).