3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)-1-prop-2-enylurea

C11H17N3O3 — CID 111423600

IUPAC3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)Nc1nc(C)c(C)o1
InChIInChI=1S/C11H17N3O3/c1-4-5-14(6-7-15)11(16)13-10-12-8(2)9(3)17-10/h4,15H,1,5-7H2,2-3H3,(H,12,13,16)
InChIKeyYYEJJCRWEJJSAN-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.30
Rot. Bonds5

About 3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)-1-prop-2-enylurea

3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)-1-prop-2-enylurea (PubChem CID 111423600) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)-1-prop-2-enylurea.

Molecular Properties

Compound Name3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
PubChem CID111423600
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)Nc1nc(C)c(C)o1
InChIInChI=1S/C11H17N3O3/c1-4-5-14(6-7-15)11(16)13-10-12-8(2)9(3)17-10/h4,15H,1,5-7H2,2-3H3,(H,12,13,16)
InChIKeyYYEJJCRWEJJSAN-UHFFFAOYSA-N
XLogP1.30
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)-1-prop-2-enylurea?
The IUPAC name of 3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)-1-prop-2-enylurea (CID 111423600) is 3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)-1-prop-2-enylurea.
What is the SMILES notation for 3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)-1-prop-2-enylurea?
The canonical SMILES for 3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)-1-prop-2-enylurea is C=CCN(CCO)C(=O)Nc1nc(C)c(C)o1.
What is the InChIKey of 3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)-1-prop-2-enylurea?
The InChIKey is YYEJJCRWEJJSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-4-5-14(6-7-15)11(16)13-10-12-8(2)9(3)17-10/h4,15H,1,5-7H2,2-3H3,(H,12,13,16).
What are the key properties of 3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)-1-prop-2-enylurea?
3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)-1-prop-2-enylurea has a molecular weight of 239.27 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)-1-prop-2-enylurea is sourced from PubChem (CID 111423600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).