1-(azetidin-3-yl)-1-(oxan-4-yl)-3-propan-2-ylurea

C12H23N3O2 — CID 86820504

IUPAC1-(azetidin-3-yl)-1-(oxan-4-yl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(C1CCOCC1)C1CNC1
InChIInChI=1S/C12H23N3O2/c1-9(2)14-12(16)15(11-7-13-8-11)10-3-5-17-6-4-10/h9-11,13H,3-8H2,1-2H3,(H,14,16)
InChIKeyDGVZIEHXRKCDAY-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.56
Rot. Bonds3

About 1-(azetidin-3-yl)-1-(oxan-4-yl)-3-propan-2-ylurea

1-(azetidin-3-yl)-1-(oxan-4-yl)-3-propan-2-ylurea (PubChem CID 86820504) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-1-(oxan-4-yl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(azetidin-3-yl)-1-(oxan-4-yl)-3-propan-2-ylurea
PubChem CID86820504
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-(azetidin-3-yl)-1-(oxan-4-yl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(C1CCOCC1)C1CNC1
InChIInChI=1S/C12H23N3O2/c1-9(2)14-12(16)15(11-7-13-8-11)10-3-5-17-6-4-10/h9-11,13H,3-8H2,1-2H3,(H,14,16)
InChIKeyDGVZIEHXRKCDAY-UHFFFAOYSA-N
XLogP0.56
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(azetidin-3-yl)-1-(oxan-4-yl)-3-propan-2-ylurea 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-(azetidin-3-yl)-1-(oxan-4-yl)-3-propan-2-ylurea?
The IUPAC name of 1-(azetidin-3-yl)-1-(oxan-4-yl)-3-propan-2-ylurea (CID 86820504) is 1-(azetidin-3-yl)-1-(oxan-4-yl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(azetidin-3-yl)-1-(oxan-4-yl)-3-propan-2-ylurea?
The canonical SMILES for 1-(azetidin-3-yl)-1-(oxan-4-yl)-3-propan-2-ylurea is CC(C)NC(=O)N(C1CCOCC1)C1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)-1-(oxan-4-yl)-3-propan-2-ylurea?
The InChIKey is DGVZIEHXRKCDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-9(2)14-12(16)15(11-7-13-8-11)10-3-5-17-6-4-10/h9-11,13H,3-8H2,1-2H3,(H,14,16).
What are the key properties of 1-(azetidin-3-yl)-1-(oxan-4-yl)-3-propan-2-ylurea?
1-(azetidin-3-yl)-1-(oxan-4-yl)-3-propan-2-ylurea has a molecular weight of 241.33 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-1-(oxan-4-yl)-3-propan-2-ylurea is sourced from PubChem (CID 86820504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).