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

C9H15N3O3 — CID 108813956

IUPAC1-(3-ethoxypropyl)-3-(1,2-oxazol-5-yl)urea
SMILESCCOCCCNC(=O)Nc1ccno1
InChIInChI=1S/C9H15N3O3/c1-2-14-7-3-5-10-9(13)12-8-4-6-11-15-8/h4,6H,2-3,5,7H2,1H3,(H2,10,12,13)
InChIKeyFCUSYUCEXNBTNV-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.22
Rot. Bonds6

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

1-(3-ethoxypropyl)-3-(1,2-oxazol-5-yl)urea (PubChem CID 108813956) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-3-(1,2-oxazol-5-yl)urea.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-3-(1,2-oxazol-5-yl)urea
PubChem CID108813956
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name1-(3-ethoxypropyl)-3-(1,2-oxazol-5-yl)urea
SMILESCCOCCCNC(=O)Nc1ccno1
InChIInChI=1S/C9H15N3O3/c1-2-14-7-3-5-10-9(13)12-8-4-6-11-15-8/h4,6H,2-3,5,7H2,1H3,(H2,10,12,13)
InChIKeyFCUSYUCEXNBTNV-UHFFFAOYSA-N
XLogP1.22
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.22
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-ethoxypropyl)-3-(1,2-oxazol-5-yl)urea?
The IUPAC name of 1-(3-ethoxypropyl)-3-(1,2-oxazol-5-yl)urea (CID 108813956) is 1-(3-ethoxypropyl)-3-(1,2-oxazol-5-yl)urea.
What is the SMILES notation for 1-(3-ethoxypropyl)-3-(1,2-oxazol-5-yl)urea?
The canonical SMILES for 1-(3-ethoxypropyl)-3-(1,2-oxazol-5-yl)urea is CCOCCCNC(=O)Nc1ccno1.
What is the InChIKey of 1-(3-ethoxypropyl)-3-(1,2-oxazol-5-yl)urea?
The InChIKey is FCUSYUCEXNBTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-2-14-7-3-5-10-9(13)12-8-4-6-11-15-8/h4,6H,2-3,5,7H2,1H3,(H2,10,12,13).
What are the key properties of 1-(3-ethoxypropyl)-3-(1,2-oxazol-5-yl)urea?
1-(3-ethoxypropyl)-3-(1,2-oxazol-5-yl)urea has a molecular weight of 213.24 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-3-(1,2-oxazol-5-yl)urea is sourced from PubChem (CID 108813956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).