1-(3-morpholin-4-ylpropyl)-3-(1,2-oxazol-5-yl)urea

C11H18N4O3 — CID 108814038

IUPAC1-(3-morpholin-4-ylpropyl)-3-(1,2-oxazol-5-yl)urea
SMILESO=C(NCCCN1CCOCC1)Nc1ccno1
InChIInChI=1S/C11H18N4O3/c16-11(14-10-2-4-13-18-10)12-3-1-5-15-6-8-17-9-7-15/h2,4H,1,3,5-9H2,(H2,12,14,16)
InChIKeyVQGGPNCJEVYYLP-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.52
Rot. Bonds5

About 1-(3-morpholin-4-ylpropyl)-3-(1,2-oxazol-5-yl)urea

1-(3-morpholin-4-ylpropyl)-3-(1,2-oxazol-5-yl)urea (PubChem CID 108814038) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylpropyl)-3-(1,2-oxazol-5-yl)urea.

Molecular Properties

Compound Name1-(3-morpholin-4-ylpropyl)-3-(1,2-oxazol-5-yl)urea
PubChem CID108814038
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name1-(3-morpholin-4-ylpropyl)-3-(1,2-oxazol-5-yl)urea
SMILESO=C(NCCCN1CCOCC1)Nc1ccno1
InChIInChI=1S/C11H18N4O3/c16-11(14-10-2-4-13-18-10)12-3-1-5-15-6-8-17-9-7-15/h2,4H,1,3,5-9H2,(H2,12,14,16)
InChIKeyVQGGPNCJEVYYLP-UHFFFAOYSA-N
XLogP0.52
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-morpholin-4-ylpropyl)-3-(1,2-oxazol-5-yl)urea?
The IUPAC name of 1-(3-morpholin-4-ylpropyl)-3-(1,2-oxazol-5-yl)urea (CID 108814038) is 1-(3-morpholin-4-ylpropyl)-3-(1,2-oxazol-5-yl)urea.
What is the SMILES notation for 1-(3-morpholin-4-ylpropyl)-3-(1,2-oxazol-5-yl)urea?
The canonical SMILES for 1-(3-morpholin-4-ylpropyl)-3-(1,2-oxazol-5-yl)urea is O=C(NCCCN1CCOCC1)Nc1ccno1.
What is the InChIKey of 1-(3-morpholin-4-ylpropyl)-3-(1,2-oxazol-5-yl)urea?
The InChIKey is VQGGPNCJEVYYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c16-11(14-10-2-4-13-18-10)12-3-1-5-15-6-8-17-9-7-15/h2,4H,1,3,5-9H2,(H2,12,14,16).
What are the key properties of 1-(3-morpholin-4-ylpropyl)-3-(1,2-oxazol-5-yl)urea?
1-(3-morpholin-4-ylpropyl)-3-(1,2-oxazol-5-yl)urea has a molecular weight of 254.29 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylpropyl)-3-(1,2-oxazol-5-yl)urea is sourced from PubChem (CID 108814038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).