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

C12H19N3O3 — CID 113406065

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-morpholin-4-ylethanone
SMILESCc1nc(CNCC(=O)N2CCOCC2)oc1C
InChIInChI=1S/C12H19N3O3/c1-9-10(2)18-11(14-9)7-13-8-12(16)15-3-5-17-6-4-15/h13H,3-8H2,1-2H3
InChIKeyBMEOMOZSXSIAAB-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.24
Rot. Bonds4

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

2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-morpholin-4-ylethanone (PubChem CID 113406065) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-morpholin-4-ylethanone
PubChem CID113406065
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-morpholin-4-ylethanone
SMILESCc1nc(CNCC(=O)N2CCOCC2)oc1C
InChIInChI=1S/C12H19N3O3/c1-9-10(2)18-11(14-9)7-13-8-12(16)15-3-5-17-6-4-15/h13H,3-8H2,1-2H3
InChIKeyBMEOMOZSXSIAAB-UHFFFAOYSA-N
XLogP0.24
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]acetamide
CID 114180427
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethanone
CID 106372552
2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-1-morpholin-4-ylethanone
CID 114180248
1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;dihydrochloride
CID 119877158
2-(benzylamino)-1-morpholin-4-ylethanone
CID 23252432
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 106371910
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine;hydroiodide
CID 109432202
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylidenebutan-1-amine
CID 106372671
3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylprop-2-en-1-amine
CID 106438365
2-(furan-3-ylmethylamino)-1-morpholin-4-ylethanone
CID 115909590
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]butanamide
CID 60972938
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hydroxylamine
CID 82594349

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-morpholin-4-ylethanone (CID 113406065) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-morpholin-4-ylethanone is Cc1nc(CNCC(=O)N2CCOCC2)oc1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-morpholin-4-ylethanone?
The InChIKey is BMEOMOZSXSIAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-9-10(2)18-11(14-9)7-13-8-12(16)15-3-5-17-6-4-15/h13H,3-8H2,1-2H3.
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-morpholin-4-ylethanone?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-morpholin-4-ylethanone has a molecular weight of 253.30 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 113406065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).