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

C13H22N4O3 — CID 154749686

IUPAC1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(2-morpholin-4-ylpropyl)urea
SMILESCc1noc(NC(=O)NCC(C)N2CCOCC2)c1C
InChIInChI=1S/C13H22N4O3/c1-9(17-4-6-19-7-5-17)8-14-13(18)15-12-10(2)11(3)16-20-12/h9H,4-8H2,1-3H3,(H2,14,15,18)
InChIKeyFYVKKDFXPAOMKY-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.13
Rot. Bonds4

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

1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(2-morpholin-4-ylpropyl)urea (PubChem CID 154749686) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(2-morpholin-4-ylpropyl)urea.

Molecular Properties

Compound Name1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(2-morpholin-4-ylpropyl)urea
PubChem CID154749686
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(2-morpholin-4-ylpropyl)urea
SMILESCc1noc(NC(=O)NCC(C)N2CCOCC2)c1C
InChIInChI=1S/C13H22N4O3/c1-9(17-4-6-19-7-5-17)8-14-13(18)15-12-10(2)11(3)16-20-12/h9H,4-8H2,1-3H3,(H2,14,15,18)
InChIKeyFYVKKDFXPAOMKY-UHFFFAOYSA-N
XLogP1.13
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-Piperazineacetamide, N-(3,4-dimethyl-5-isoxazolyl)-4-methyl-, monohydrochloride
CID 3053723
4-Morpholineacetamide, N-(3,4-dimethyl-5-isoxazolyl)-
CID 24840173
1-Piperidineacetamide, N-(3,4-dimethyl-5-isoxazolyl)-alpha-ethyl-
CID 24842464
N-(3,4-dimethylisoxazol-5-yl)piperazine-1-carboxamide trifluoroacetate
CID 68778028
2-[4-(3,4-Dimethyl-1,2-oxazol-5-yl)piperazin-1-yl]acetamide
CID 3053722
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)acetamide
CID 3053724
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]propanamide
CID 42937214
1-(3-methyl-1,2-oxazol-5-yl)-3-[(3R)-1-methylpiperidin-3-yl]urea
CID 68065514
N-(3,4-dimethyl-1,2-oxazol-5-yl)piperazine-1-carboxamide
CID 68778029
4-[(3,4-Dimethyl-1,2-oxazol-5-yl)carbamoyl]piperazine-1-carboxylic acid
CID 68780628
5-[5-(Hydroxymethyl)-2-oxoimidazolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile
CID 70554827
3-(4-Cyano-3-methyl-1,2-oxazol-5-yl)-1-(2,2-dimethoxyethyl)-1-methylurea
CID 70555654

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(2-morpholin-4-ylpropyl)urea?
The IUPAC name of 1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(2-morpholin-4-ylpropyl)urea (CID 154749686) is 1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(2-morpholin-4-ylpropyl)urea.
What is the SMILES notation for 1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(2-morpholin-4-ylpropyl)urea?
The canonical SMILES for 1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(2-morpholin-4-ylpropyl)urea is Cc1noc(NC(=O)NCC(C)N2CCOCC2)c1C.
What is the InChIKey of 1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(2-morpholin-4-ylpropyl)urea?
The InChIKey is FYVKKDFXPAOMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-9(17-4-6-19-7-5-17)8-14-13(18)15-12-10(2)11(3)16-20-12/h9H,4-8H2,1-3H3,(H2,14,15,18).
What are the key properties of 1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(2-morpholin-4-ylpropyl)urea?
1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(2-morpholin-4-ylpropyl)urea has a molecular weight of 282.34 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(2-morpholin-4-ylpropyl)urea is sourced from PubChem (CID 154749686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).