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

C12H19N3O3 — CID 47110196

IUPAC3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCCN1CCOCC1
InChIInChI=1S/C12H19N3O3/c1-9-11(10(2)18-14-9)12(16)13-3-4-15-5-7-17-8-6-15/h3-8H2,1-2H3,(H,13,16)
InChIKeyUUBCKUDOVJMQQM-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.35
Rot. Bonds4

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

3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide (PubChem CID 47110196) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
PubChem CID47110196
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCCN1CCOCC1
InChIInChI=1S/C12H19N3O3/c1-9-11(10(2)18-14-9)12(16)13-3-4-15-5-7-17-8-6-15/h3-8H2,1-2H3,(H,13,16)
InChIKeyUUBCKUDOVJMQQM-UHFFFAOYSA-N
XLogP0.35
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 ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(cyclohex-1-en-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 1245261
(3-Ethyl-5-methylisoxazol-4-yl)(morpholino)methanone
CID 1245299
3,5-dimethyl-N-[1-(tetrahydro-2-furanyl)ethyl]-4-isoxazolecarboxamide
CID 2970406
(2,6-Dimethylmorpholin-4-yl)(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
CID 3245328
N,3,5-Trimethylisoxazole-4-carboxamide
CID 5149864
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-methyl-N-propylpiperidine-3-carboxamide
CID 46942636
8-[(3,5-Dimethyl-4-isoxazolyl)carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 1245987
3,5-dimethyl-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-4-isoxazolecarboxamide
CID 2225560
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 18206720
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 25102501
1-[(Dimethyl-1,2-oxazol-4-yl)methyl]piperazine
CID 2772401
1-((Dimethyl-1,2-oxazol-4-yl)methyl)piperazine dihydrochloride
CID 42933684

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide (CID 47110196) is 3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NCCN1CCOCC1.
What is the InChIKey of 3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is UUBCKUDOVJMQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-9-11(10(2)18-14-9)12(16)13-3-4-15-5-7-17-8-6-15/h3-8H2,1-2H3,(H,13,16).
What are the key properties of 3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 47110196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).