3-(5-tert-butyl-1,2-oxazol-4-yl)-1,1-dimethylurea

C10H17N3O2 — CID 90473790

IUPAC3-(5-tert-butyl-1,2-oxazol-4-yl)-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1cnoc1C(C)(C)C
InChIInChI=1S/C10H17N3O2/c1-10(2,3)8-7(6-11-15-8)12-9(14)13(4)5/h6H,1-5H3,(H,12,14)
InChIKeyDNSCERHRUSOGIW-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.07
Rot. Bonds1

About 3-(5-tert-butyl-1,2-oxazol-4-yl)-1,1-dimethylurea

3-(5-tert-butyl-1,2-oxazol-4-yl)-1,1-dimethylurea (PubChem CID 90473790) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(5-tert-butyl-1,2-oxazol-4-yl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(5-tert-butyl-1,2-oxazol-4-yl)-1,1-dimethylurea
PubChem CID90473790
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-(5-tert-butyl-1,2-oxazol-4-yl)-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1cnoc1C(C)(C)C
InChIInChI=1S/C10H17N3O2/c1-10(2,3)8-7(6-11-15-8)12-9(14)13(4)5/h6H,1-5H3,(H,12,14)
InChIKeyDNSCERHRUSOGIW-UHFFFAOYSA-N
XLogP2.07
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-1,2-oxazol-4-yl)-1,1-dimethylurea?
The IUPAC name of 3-(5-tert-butyl-1,2-oxazol-4-yl)-1,1-dimethylurea (CID 90473790) is 3-(5-tert-butyl-1,2-oxazol-4-yl)-1,1-dimethylurea.
What is the SMILES notation for 3-(5-tert-butyl-1,2-oxazol-4-yl)-1,1-dimethylurea?
The canonical SMILES for 3-(5-tert-butyl-1,2-oxazol-4-yl)-1,1-dimethylurea is CN(C)C(=O)Nc1cnoc1C(C)(C)C.
What is the InChIKey of 3-(5-tert-butyl-1,2-oxazol-4-yl)-1,1-dimethylurea?
The InChIKey is DNSCERHRUSOGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-10(2,3)8-7(6-11-15-8)12-9(14)13(4)5/h6H,1-5H3,(H,12,14).
What are the key properties of 3-(5-tert-butyl-1,2-oxazol-4-yl)-1,1-dimethylurea?
3-(5-tert-butyl-1,2-oxazol-4-yl)-1,1-dimethylurea has a molecular weight of 211.26 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-1,2-oxazol-4-yl)-1,1-dimethylurea is sourced from PubChem (CID 90473790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).