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

C17H21N3O3 — CID 2559070

IUPAC5-ethyl-3-methyl-N-(4-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide
SMILESCCc1onc(C)c1C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C17H21N3O3/c1-3-15-16(12(2)19-23-15)17(21)18-13-4-6-14(7-5-13)20-8-10-22-11-9-20/h4-7H,3,8-11H2,1-2H3,(H,18,21)
InChIKeyJYQRVBPCYASPHJ-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.63
Rot. Bonds4

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

5-ethyl-3-methyl-N-(4-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide (PubChem CID 2559070) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 5-ethyl-3-methyl-N-(4-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-3-methyl-N-(4-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide
PubChem CID2559070
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name5-ethyl-3-methyl-N-(4-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide
SMILESCCc1onc(C)c1C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C17H21N3O3/c1-3-15-16(12(2)19-23-15)17(21)18-13-4-6-14(7-5-13)20-8-10-22-11-9-20/h4-7H,3,8-11H2,1-2H3,(H,18,21)
InChIKeyJYQRVBPCYASPHJ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyl-N-(4-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-ethyl-3-methyl-N-(4-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide (CID 2559070) is 5-ethyl-3-methyl-N-(4-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-3-methyl-N-(4-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-ethyl-3-methyl-N-(4-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide is CCc1onc(C)c1C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 5-ethyl-3-methyl-N-(4-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is JYQRVBPCYASPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-3-15-16(12(2)19-23-15)17(21)18-13-4-6-14(7-5-13)20-8-10-22-11-9-20/h4-7H,3,8-11H2,1-2H3,(H,18,21).
What are the key properties of 5-ethyl-3-methyl-N-(4-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide?
5-ethyl-3-methyl-N-(4-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 5-ethyl-3-methyl-N-(4-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2559070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).