1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)urea

C16H28N4O3 — CID 51083546

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)urea
SMILESCc1noc(C)c1CN(C)C(=O)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C16H28N4O3/c1-12-14(13(2)23-18-12)10-19(5)15(21)17-11-16(3,4)20-6-8-22-9-7-20/h6-11H2,1-5H3,(H,17,21)
InChIKeyGWJJRAIQHIKWEI-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.54
Rot. Bonds5

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)urea

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)urea (PubChem CID 51083546) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)urea.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)urea
PubChem CID51083546
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)urea
SMILESCc1noc(C)c1CN(C)C(=O)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C16H28N4O3/c1-12-14(13(2)23-18-12)10-19(5)15(21)17-11-16(3,4)20-6-8-22-9-7-20/h6-11H2,1-5H3,(H,17,21)
InChIKeyGWJJRAIQHIKWEI-UHFFFAOYSA-N
XLogP1.54
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylbutyl)urea
CID 51084667
4-[(dimethylamino)methyl]-5-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-1,2-oxazole-3-carboxamide
CID 46976439
3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
CID 94053931
3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
CID 94053929
1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)-1-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]urea
CID 135920669
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111765644
3-[(2R)-2-cyclohexyl-2-(dimethylamino)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
CID 94097246
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-ethyl-1-methylurea
CID 115604567
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide
CID 30593708
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylacetamide
CID 60964165
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(3R)-1-methylpiperidin-3-yl]urea
CID 94442857
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 75462199

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)urea?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)urea (CID 51083546) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)urea.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)urea?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)urea is Cc1noc(C)c1CN(C)C(=O)NCC(C)(C)N1CCOCC1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)urea?
The InChIKey is GWJJRAIQHIKWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-12-14(13(2)23-18-12)10-19(5)15(21)17-11-16(3,4)20-6-8-22-9-7-20/h6-11H2,1-5H3,(H,17,21).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)urea?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)urea has a molecular weight of 324.43 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)urea is sourced from PubChem (CID 51083546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).