3-(5-tert-butyl-1,2-oxazol-3-yl)-1-(1-ethoxy-2,2-dimethoxyethyl)-1-methylurea

C15H27N3O5 — CID 129088789

IUPAC3-(5-tert-butyl-1,2-oxazol-3-yl)-1-(1-ethoxy-2,2-dimethoxyethyl)-1-methylurea
SMILESCCOC(C(OC)OC)N(C)C(=O)Nc1cc(C(C)(C)C)on1
InChIInChI=1S/C15H27N3O5/c1-8-22-12(13(20-6)21-7)18(5)14(19)16-11-9-10(23-17-11)15(2,3)4/h9,12-13H,8H2,1-7H3,(H,16,17,19)
InChIKeyBRFIIVJVUGLTKN-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.42
Rot. Bonds7

About 3-(5-tert-butyl-1,2-oxazol-3-yl)-1-(1-ethoxy-2,2-dimethoxyethyl)-1-methylurea

3-(5-tert-butyl-1,2-oxazol-3-yl)-1-(1-ethoxy-2,2-dimethoxyethyl)-1-methylurea (PubChem CID 129088789) has the molecular formula C15H27N3O5 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-(5-tert-butyl-1,2-oxazol-3-yl)-1-(1-ethoxy-2,2-dimethoxyethyl)-1-methylurea.

Molecular Properties

Compound Name3-(5-tert-butyl-1,2-oxazol-3-yl)-1-(1-ethoxy-2,2-dimethoxyethyl)-1-methylurea
PubChem CID129088789
Molecular FormulaC15H27N3O5
Molecular Weight329.40 g/mol
Exact Mass329.20
IUPAC Name3-(5-tert-butyl-1,2-oxazol-3-yl)-1-(1-ethoxy-2,2-dimethoxyethyl)-1-methylurea
SMILESCCOC(C(OC)OC)N(C)C(=O)Nc1cc(C(C)(C)C)on1
InChIInChI=1S/C15H27N3O5/c1-8-22-12(13(20-6)21-7)18(5)14(19)16-11-9-10(23-17-11)15(2,3)4/h9,12-13H,8H2,1-7H3,(H,16,17,19)
InChIKeyBRFIIVJVUGLTKN-UHFFFAOYSA-N
XLogP2.42
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-1,2-oxazol-3-yl)-1-(1-ethoxy-2,2-dimethoxyethyl)-1-methylurea?
The IUPAC name of 3-(5-tert-butyl-1,2-oxazol-3-yl)-1-(1-ethoxy-2,2-dimethoxyethyl)-1-methylurea (CID 129088789) is 3-(5-tert-butyl-1,2-oxazol-3-yl)-1-(1-ethoxy-2,2-dimethoxyethyl)-1-methylurea.
What is the SMILES notation for 3-(5-tert-butyl-1,2-oxazol-3-yl)-1-(1-ethoxy-2,2-dimethoxyethyl)-1-methylurea?
The canonical SMILES for 3-(5-tert-butyl-1,2-oxazol-3-yl)-1-(1-ethoxy-2,2-dimethoxyethyl)-1-methylurea is CCOC(C(OC)OC)N(C)C(=O)Nc1cc(C(C)(C)C)on1.
What is the InChIKey of 3-(5-tert-butyl-1,2-oxazol-3-yl)-1-(1-ethoxy-2,2-dimethoxyethyl)-1-methylurea?
The InChIKey is BRFIIVJVUGLTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O5/c1-8-22-12(13(20-6)21-7)18(5)14(19)16-11-9-10(23-17-11)15(2,3)4/h9,12-13H,8H2,1-7H3,(H,16,17,19).
What are the key properties of 3-(5-tert-butyl-1,2-oxazol-3-yl)-1-(1-ethoxy-2,2-dimethoxyethyl)-1-methylurea?
3-(5-tert-butyl-1,2-oxazol-3-yl)-1-(1-ethoxy-2,2-dimethoxyethyl)-1-methylurea has a molecular weight of 329.40 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-1,2-oxazol-3-yl)-1-(1-ethoxy-2,2-dimethoxyethyl)-1-methylurea is sourced from PubChem (CID 129088789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).