2,3-dimethyl-N-(2-morpholin-4-ylethyl)-5-oxo-1,2-oxazole-4-carboxamide

C12H19N3O4 — CID 110680945

IUPAC2,3-dimethyl-N-(2-morpholin-4-ylethyl)-5-oxo-1,2-oxazole-4-carboxamide
SMILESCc1c(C(=O)NCCN2CCOCC2)c(=O)on1C
InChIInChI=1S/C12H19N3O4/c1-9-10(12(17)19-14(9)2)11(16)13-3-4-15-5-7-18-8-6-15/h3-8H2,1-2H3,(H,13,16)
InChIKeyHVWWURVWSOJTLM-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.65
Rot. Bonds4

About 2,3-dimethyl-N-(2-morpholin-4-ylethyl)-5-oxo-1,2-oxazole-4-carboxamide

2,3-dimethyl-N-(2-morpholin-4-ylethyl)-5-oxo-1,2-oxazole-4-carboxamide (PubChem CID 110680945) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2,3-dimethyl-N-(2-morpholin-4-ylethyl)-5-oxo-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(2-morpholin-4-ylethyl)-5-oxo-1,2-oxazole-4-carboxamide
PubChem CID110680945
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2,3-dimethyl-N-(2-morpholin-4-ylethyl)-5-oxo-1,2-oxazole-4-carboxamide
SMILESCc1c(C(=O)NCCN2CCOCC2)c(=O)on1C
InChIInChI=1S/C12H19N3O4/c1-9-10(12(17)19-14(9)2)11(16)13-3-4-15-5-7-18-8-6-15/h3-8H2,1-2H3,(H,13,16)
InChIKeyHVWWURVWSOJTLM-UHFFFAOYSA-N
XLogP-0.65
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide
CID 110680939
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-pyrazole-4-carboxamide
CID 43582644
1,2-dimethyl-N-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide
CID 91130996
5-chloro-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide
CID 47141788
2,4-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-oxazole-5-carboxamide
CID 110684800
2-amino-6-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 16793479
2,4,5-trimethyl-N-(3-morpholin-4-ylpropyl)furan-3-carboxamide
CID 47136432
2-methoxy-6-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 131898398
4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide
CID 110696091
6-methyl-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
CID 142825868
3-iodo-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 134052243

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(2-morpholin-4-ylethyl)-5-oxo-1,2-oxazole-4-carboxamide?
The IUPAC name of 2,3-dimethyl-N-(2-morpholin-4-ylethyl)-5-oxo-1,2-oxazole-4-carboxamide (CID 110680945) is 2,3-dimethyl-N-(2-morpholin-4-ylethyl)-5-oxo-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-(2-morpholin-4-ylethyl)-5-oxo-1,2-oxazole-4-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-(2-morpholin-4-ylethyl)-5-oxo-1,2-oxazole-4-carboxamide is Cc1c(C(=O)NCCN2CCOCC2)c(=O)on1C.
What is the InChIKey of 2,3-dimethyl-N-(2-morpholin-4-ylethyl)-5-oxo-1,2-oxazole-4-carboxamide?
The InChIKey is HVWWURVWSOJTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-9-10(12(17)19-14(9)2)11(16)13-3-4-15-5-7-18-8-6-15/h3-8H2,1-2H3,(H,13,16).
What are the key properties of 2,3-dimethyl-N-(2-morpholin-4-ylethyl)-5-oxo-1,2-oxazole-4-carboxamide?
2,3-dimethyl-N-(2-morpholin-4-ylethyl)-5-oxo-1,2-oxazole-4-carboxamide has a molecular weight of 269.30 g/mol, XLogP of -0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(2-morpholin-4-ylethyl)-5-oxo-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110680945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).