3-ethyl-5-methyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide

C17H21N3O3 — CID 17452729

IUPAC3-ethyl-5-methyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C17H21N3O3/c1-3-13-16(12(2)23-19-13)17(21)18-14-6-4-5-7-15(14)20-8-10-22-11-9-20/h4-7H,3,8-11H2,1-2H3,(H,18,21)
InChIKeyHXNGDZQMVCPKTE-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.63
Rot. Bonds4

About 3-ethyl-5-methyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide

3-ethyl-5-methyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide (PubChem CID 17452729) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-ethyl-5-methyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-methyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide
PubChem CID17452729
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name3-ethyl-5-methyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C17H21N3O3/c1-3-13-16(12(2)23-19-13)17(21)18-14-6-4-5-7-15(14)20-8-10-22-11-9-20/h4-7H,3,8-11H2,1-2H3,(H,18,21)
InChIKeyHXNGDZQMVCPKTE-UHFFFAOYSA-N
XLogP2.63
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-5-methyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide (CID 17452729) is 3-ethyl-5-methyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-5-methyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-5-methyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)Nc1ccccc1N1CCOCC1.
What is the InChIKey of 3-ethyl-5-methyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is HXNGDZQMVCPKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-3-13-16(12(2)23-19-13)17(21)18-14-6-4-5-7-15(14)20-8-10-22-11-9-20/h4-7H,3,8-11H2,1-2H3,(H,18,21).
What are the key properties of 3-ethyl-5-methyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide?
3-ethyl-5-methyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 17452729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).