1-(3-butoxypropyl)-3-(1,2-oxazol-5-yl)urea

C11H19N3O3 — CID 108813964

IUPAC1-(3-butoxypropyl)-3-(1,2-oxazol-5-yl)urea
SMILESCCCCOCCCNC(=O)Nc1ccno1
InChIInChI=1S/C11H19N3O3/c1-2-3-8-16-9-4-6-12-11(15)14-10-5-7-13-17-10/h5,7H,2-4,6,8-9H2,1H3,(H2,12,14,15)
InChIKeyUWVJHHPTBBXKNI-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.00
Rot. Bonds8

About 1-(3-butoxypropyl)-3-(1,2-oxazol-5-yl)urea

1-(3-butoxypropyl)-3-(1,2-oxazol-5-yl)urea (PubChem CID 108813964) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-(3-butoxypropyl)-3-(1,2-oxazol-5-yl)urea.

Molecular Properties

Compound Name1-(3-butoxypropyl)-3-(1,2-oxazol-5-yl)urea
PubChem CID108813964
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name1-(3-butoxypropyl)-3-(1,2-oxazol-5-yl)urea
SMILESCCCCOCCCNC(=O)Nc1ccno1
InChIInChI=1S/C11H19N3O3/c1-2-3-8-16-9-4-6-12-11(15)14-10-5-7-13-17-10/h5,7H,2-4,6,8-9H2,1H3,(H2,12,14,15)
InChIKeyUWVJHHPTBBXKNI-UHFFFAOYSA-N
XLogP2.00
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-butoxypropyl)-3-(1,2-oxazol-5-yl)urea?
The IUPAC name of 1-(3-butoxypropyl)-3-(1,2-oxazol-5-yl)urea (CID 108813964) is 1-(3-butoxypropyl)-3-(1,2-oxazol-5-yl)urea.
What is the SMILES notation for 1-(3-butoxypropyl)-3-(1,2-oxazol-5-yl)urea?
The canonical SMILES for 1-(3-butoxypropyl)-3-(1,2-oxazol-5-yl)urea is CCCCOCCCNC(=O)Nc1ccno1.
What is the InChIKey of 1-(3-butoxypropyl)-3-(1,2-oxazol-5-yl)urea?
The InChIKey is UWVJHHPTBBXKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-2-3-8-16-9-4-6-12-11(15)14-10-5-7-13-17-10/h5,7H,2-4,6,8-9H2,1H3,(H2,12,14,15).
What are the key properties of 1-(3-butoxypropyl)-3-(1,2-oxazol-5-yl)urea?
1-(3-butoxypropyl)-3-(1,2-oxazol-5-yl)urea has a molecular weight of 241.29 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butoxypropyl)-3-(1,2-oxazol-5-yl)urea is sourced from PubChem (CID 108813964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).