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

C9H15N3O3 — CID 110907890

IUPAC3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)-1-methylurea
SMILESCc1nc(NC(=O)N(C)CCO)oc1C
InChIInChI=1S/C9H15N3O3/c1-6-7(2)15-8(10-6)11-9(14)12(3)4-5-13/h13H,4-5H2,1-3H3,(H,10,11,14)
InChIKeyXXRDKLBHDQJXRB-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.75
Rot. Bonds3

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

3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)-1-methylurea (PubChem CID 110907890) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)-1-methylurea.

Molecular Properties

Compound Name3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)-1-methylurea
PubChem CID110907890
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)-1-methylurea
SMILESCc1nc(NC(=O)N(C)CCO)oc1C
InChIInChI=1S/C9H15N3O3/c1-6-7(2)15-8(10-6)11-9(14)12(3)4-5-13/h13H,4-5H2,1-3H3,(H,10,11,14)
InChIKeyXXRDKLBHDQJXRB-UHFFFAOYSA-N
XLogP0.75
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)-1-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Acetamide, N-(4,5-dimethyl-2-oxazolyl)-
CID 37198
Acetamide, N-butyl-N-(4,5-dimethyl-2-oxazolyl)-
CID 12295249
N-(4,5-Dimethyl-1,3-oxazol-2-yl)-N-methylacetamide
CID 12556908
N-(4,5-Dimethyl-1,3-oxazol-2-yl)-N-ethyl-2-methylpropanamide
CID 12556909
N-Butyl-N-(4,5-dimethyl-1,3-oxazol-2-yl)butanamide
CID 12556910
N-butyl-N-(4,5-dimethyl-1,3-oxazol-2-yl)-2-methylpropanamide
CID 12556911
2-Dimethylamino-4,5-dimethyl-oxazole
CID 587654
1-Cyclohexyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-prop-2-ynylurea
CID 47465250
2-Diethylamino-4,5-dimethyloxazole
CID 23278732
1-(4,5-Dimethyl-1,3-oxazol-2-yl)-2-ethylguanidine
CID 129930574
2,2,2-trifluoroethyl N-(dimethyl-1,3-oxazol-2-yl)carbamate
CID 71758726
1-(4,5-Dimethyl-1,3-oxazol-2-yl)-3-propylthiourea
CID 91621484

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)-1-methylurea?
The IUPAC name of 3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)-1-methylurea (CID 110907890) is 3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)-1-methylurea.
What is the SMILES notation for 3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)-1-methylurea?
The canonical SMILES for 3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)-1-methylurea is Cc1nc(NC(=O)N(C)CCO)oc1C.
What is the InChIKey of 3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)-1-methylurea?
The InChIKey is XXRDKLBHDQJXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-6-7(2)15-8(10-6)11-9(14)12(3)4-5-13/h13H,4-5H2,1-3H3,(H,10,11,14).
What are the key properties of 3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)-1-methylurea?
3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)-1-methylurea has a molecular weight of 213.24 g/mol, XLogP of 0.75, 3 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-methylurea is sourced from PubChem (CID 110907890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).