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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Related Compounds

5-methyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-3-carboxamide
CID 4786601
N-[4-(diethylamino)phenyl]-3,5-dimethyl-4-isoxazolecarboxamide
CID 4791029
N-(5-chloro-2-morpholin-4-ylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 4800687
N-[4-(diethylcarbamoyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 9502259
3,5-dimethyl-N-(2-pyrrolidin-1-ylphenyl)-1,2-oxazole-4-carboxamide
CID 18190087
4-[(5-Methyl-3-phenyl-4-isoxazolyl)carbonyl]-morpholine
CID 652190
3,5-dimethyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1,2-oxazole-4-carboxamide
CID 25265092
3,5-Dimethyl-isoxazole-4-carboxylic acid cyclohexylcarbamoylmethyl-m-tolyl-amide
CID 651038
5-methyl-N-[2-(morpholin-4-yl)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 700868
1-[(3,5-Dimethyl-4-isoxazolyl)carbonyl]-4-(2-phenylethyl)piperazine
CID 1247127
5-methyl-N-(2-morpholin-4-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 2083055
5-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 2088972

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).