1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea

C13H23N3O3 — CID 111926281

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea
SMILESCCC(C)(CO)NC(=O)Nc1cc(C(C)(C)C)on1
InChIInChI=1S/C13H23N3O3/c1-6-13(5,8-17)15-11(18)14-10-7-9(19-16-10)12(2,3)4/h7,17H,6,8H2,1-5H3,(H2,14,15,16,18)
InChIKeyLDDKHOHWYFYUOM-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.25
Rot. Bonds4

About 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea (PubChem CID 111926281) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea
PubChem CID111926281
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea
SMILESCCC(C)(CO)NC(=O)Nc1cc(C(C)(C)C)on1
InChIInChI=1S/C13H23N3O3/c1-6-13(5,8-17)15-11(18)14-10-7-9(19-16-10)12(2,3)4/h7,17H,6,8H2,1-5H3,(H2,14,15,16,18)
InChIKeyLDDKHOHWYFYUOM-UHFFFAOYSA-N
XLogP2.25
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea (CID 111926281) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea is CCC(C)(CO)NC(=O)Nc1cc(C(C)(C)C)on1.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea?
The InChIKey is LDDKHOHWYFYUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-6-13(5,8-17)15-11(18)14-10-7-9(19-16-10)12(2,3)4/h7,17H,6,8H2,1-5H3,(H2,14,15,16,18).
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea?
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea has a molecular weight of 269.34 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea is sourced from PubChem (CID 111926281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).