2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methyl-1-morpholin-4-ylbutan-1-one

C15H25N3O3 — CID 84598270

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methyl-1-morpholin-4-ylbutan-1-one
SMILESCc1noc(C)c1CNC(C(=O)N1CCOCC1)C(C)C
InChIInChI=1S/C15H25N3O3/c1-10(2)14(15(19)18-5-7-20-8-6-18)16-9-13-11(3)17-21-12(13)4/h10,14,16H,5-9H2,1-4H3
InChIKeyHYBGVALVUXJRIB-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.26
Rot. Bonds5

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methyl-1-morpholin-4-ylbutan-1-one

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methyl-1-morpholin-4-ylbutan-1-one (PubChem CID 84598270) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methyl-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methyl-1-morpholin-4-ylbutan-1-one
PubChem CID84598270
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methyl-1-morpholin-4-ylbutan-1-one
SMILESCc1noc(C)c1CNC(C(=O)N1CCOCC1)C(C)C
InChIInChI=1S/C15H25N3O3/c1-10(2)14(15(19)18-5-7-20-8-6-18)16-9-13-11(3)17-21-12(13)4/h10,14,16H,5-9H2,1-4H3
InChIKeyHYBGVALVUXJRIB-UHFFFAOYSA-N
XLogP1.26
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methyl-1-morpholin-4-ylbutan-1-one?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methyl-1-morpholin-4-ylbutan-1-one (CID 84598270) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methyl-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methyl-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methyl-1-morpholin-4-ylbutan-1-one is Cc1noc(C)c1CNC(C(=O)N1CCOCC1)C(C)C.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methyl-1-morpholin-4-ylbutan-1-one?
The InChIKey is HYBGVALVUXJRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-10(2)14(15(19)18-5-7-20-8-6-18)16-9-13-11(3)17-21-12(13)4/h10,14,16H,5-9H2,1-4H3.
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methyl-1-morpholin-4-ylbutan-1-one?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methyl-1-morpholin-4-ylbutan-1-one has a molecular weight of 295.38 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methyl-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 84598270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).