N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylacetamide

C17H21N3O4 — CID 1480150

IUPACN-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylacetamide
SMILESCOc1ccc(-c2cc(CNC(=O)CN3CCOCC3)on2)cc1
InChIInChI=1S/C17H21N3O4/c1-22-14-4-2-13(3-5-14)16-10-15(24-19-16)11-18-17(21)12-20-6-8-23-9-7-20/h2-5,10H,6-9,11-12H2,1H3,(H,18,21)
InChIKeyKWNJKVXVOOPLJU-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.30
Rot. Bonds6

About N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylacetamide

N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylacetamide (PubChem CID 1480150) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylacetamide
PubChem CID1480150
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylacetamide
SMILESCOc1ccc(-c2cc(CNC(=O)CN3CCOCC3)on2)cc1
InChIInChI=1S/C17H21N3O4/c1-22-14-4-2-13(3-5-14)16-10-15(24-19-16)11-18-17(21)12-20-6-8-23-9-7-20/h2-5,10H,6-9,11-12H2,1H3,(H,18,21)
InChIKeyKWNJKVXVOOPLJU-UHFFFAOYSA-N
XLogP1.30
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylacetamide (CID 1480150) is N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylacetamide is COc1ccc(-c2cc(CNC(=O)CN3CCOCC3)on2)cc1.
What is the InChIKey of N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylacetamide?
The InChIKey is KWNJKVXVOOPLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-22-14-4-2-13(3-5-14)16-10-15(24-19-16)11-18-17(21)12-20-6-8-23-9-7-20/h2-5,10H,6-9,11-12H2,1H3,(H,18,21).
What are the key properties of N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylacetamide?
N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylacetamide has a molecular weight of 331.37 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 1480150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).