1-tert-butyl-3-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]urea

C11H19N3O2 — CID 71789742

IUPAC1-tert-butyl-3-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]urea
SMILESCc1cc(CCNC(=O)NC(C)(C)C)on1
InChIInChI=1S/C11H19N3O2/c1-8-7-9(16-14-8)5-6-12-10(15)13-11(2,3)4/h7H,5-6H2,1-4H3,(H2,12,13,15)
InChIKeyBLLIEJDXXHSEKA-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.62
Rot. Bonds3

About 1-tert-butyl-3-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]urea

1-tert-butyl-3-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]urea (PubChem CID 71789742) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-tert-butyl-3-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]urea
PubChem CID71789742
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-tert-butyl-3-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]urea
SMILESCc1cc(CCNC(=O)NC(C)(C)C)on1
InChIInChI=1S/C11H19N3O2/c1-8-7-9(16-14-8)5-6-12-10(15)13-11(2,3)4/h7H,5-6H2,1-4H3,(H2,12,13,15)
InChIKeyBLLIEJDXXHSEKA-UHFFFAOYSA-N
XLogP1.62
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]urea?
The IUPAC name of 1-tert-butyl-3-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]urea (CID 71789742) is 1-tert-butyl-3-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]urea?
The canonical SMILES for 1-tert-butyl-3-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]urea is Cc1cc(CCNC(=O)NC(C)(C)C)on1.
What is the InChIKey of 1-tert-butyl-3-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]urea?
The InChIKey is BLLIEJDXXHSEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8-7-9(16-14-8)5-6-12-10(15)13-11(2,3)4/h7H,5-6H2,1-4H3,(H2,12,13,15).
What are the key properties of 1-tert-butyl-3-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]urea?
1-tert-butyl-3-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]urea has a molecular weight of 225.29 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]urea is sourced from PubChem (CID 71789742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).