1-(2-cyclopropyl-2-methoxypropyl)-3-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]urea

C16H21N3O4 — CID 167976831

IUPAC1-(2-cyclopropyl-2-methoxypropyl)-3-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]urea
SMILESCOC(C)(CNC(=O)Nc1cc(-c2ccoc2C)on1)C1CC1
InChIInChI=1S/C16H21N3O4/c1-10-12(6-7-22-10)13-8-14(19-23-13)18-15(20)17-9-16(2,21-3)11-4-5-11/h6-8,11H,4-5,9H2,1-3H3,(H2,17,18,19,20)
InChIKeyBIMBMSABLRHOMB-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.18
Rot. Bonds6

About 1-(2-cyclopropyl-2-methoxypropyl)-3-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]urea

1-(2-cyclopropyl-2-methoxypropyl)-3-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]urea (PubChem CID 167976831) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 1-(2-cyclopropyl-2-methoxypropyl)-3-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-2-methoxypropyl)-3-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]urea
PubChem CID167976831
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name1-(2-cyclopropyl-2-methoxypropyl)-3-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]urea
SMILESCOC(C)(CNC(=O)Nc1cc(-c2ccoc2C)on1)C1CC1
InChIInChI=1S/C16H21N3O4/c1-10-12(6-7-22-10)13-8-14(19-23-13)18-15(20)17-9-16(2,21-3)11-4-5-11/h6-8,11H,4-5,9H2,1-3H3,(H2,17,18,19,20)
InChIKeyBIMBMSABLRHOMB-UHFFFAOYSA-N
XLogP3.18
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-cyclopropyl-2-methoxypropyl)-3-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-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-(2-cyclopropyl-2-methoxypropyl)-3-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]urea?
The IUPAC name of 1-(2-cyclopropyl-2-methoxypropyl)-3-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]urea (CID 167976831) is 1-(2-cyclopropyl-2-methoxypropyl)-3-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]urea.
What is the SMILES notation for 1-(2-cyclopropyl-2-methoxypropyl)-3-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]urea?
The canonical SMILES for 1-(2-cyclopropyl-2-methoxypropyl)-3-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]urea is COC(C)(CNC(=O)Nc1cc(-c2ccoc2C)on1)C1CC1.
What is the InChIKey of 1-(2-cyclopropyl-2-methoxypropyl)-3-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]urea?
The InChIKey is BIMBMSABLRHOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-10-12(6-7-22-10)13-8-14(19-23-13)18-15(20)17-9-16(2,21-3)11-4-5-11/h6-8,11H,4-5,9H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 1-(2-cyclopropyl-2-methoxypropyl)-3-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]urea?
1-(2-cyclopropyl-2-methoxypropyl)-3-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]urea has a molecular weight of 319.36 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-2-methoxypropyl)-3-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]urea is sourced from PubChem (CID 167976831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).