[5-(oxan-4-yl)-1,2-oxazol-3-yl]urea

C9H13N3O3 — CID 170578737

IUPAC[5-(oxan-4-yl)-1,2-oxazol-3-yl]urea
SMILESNC(=O)Nc1cc(C2CCOCC2)on1
InChIInChI=1S/C9H13N3O3/c10-9(13)11-8-5-7(15-12-8)6-1-3-14-4-2-6/h5-6H,1-4H2,(H3,10,11,12,13)
InChIKeyQAAYVBQQNMQOBK-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.06
Rot. Bonds2

About [5-(oxan-4-yl)-1,2-oxazol-3-yl]urea

[5-(oxan-4-yl)-1,2-oxazol-3-yl]urea (PubChem CID 170578737) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is [5-(oxan-4-yl)-1,2-oxazol-3-yl]urea.

Molecular Properties

Compound Name[5-(oxan-4-yl)-1,2-oxazol-3-yl]urea
PubChem CID170578737
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name[5-(oxan-4-yl)-1,2-oxazol-3-yl]urea
SMILESNC(=O)Nc1cc(C2CCOCC2)on1
InChIInChI=1S/C9H13N3O3/c10-9(13)11-8-5-7(15-12-8)6-1-3-14-4-2-6/h5-6H,1-4H2,(H3,10,11,12,13)
InChIKeyQAAYVBQQNMQOBK-UHFFFAOYSA-N
XLogP1.06
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(oxan-4-yl)-1,2-oxazol-3-yl]urea?
The IUPAC name of [5-(oxan-4-yl)-1,2-oxazol-3-yl]urea (CID 170578737) is [5-(oxan-4-yl)-1,2-oxazol-3-yl]urea.
What is the SMILES notation for [5-(oxan-4-yl)-1,2-oxazol-3-yl]urea?
The canonical SMILES for [5-(oxan-4-yl)-1,2-oxazol-3-yl]urea is NC(=O)Nc1cc(C2CCOCC2)on1.
What is the InChIKey of [5-(oxan-4-yl)-1,2-oxazol-3-yl]urea?
The InChIKey is QAAYVBQQNMQOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c10-9(13)11-8-5-7(15-12-8)6-1-3-14-4-2-6/h5-6H,1-4H2,(H3,10,11,12,13).
What are the key properties of [5-(oxan-4-yl)-1,2-oxazol-3-yl]urea?
[5-(oxan-4-yl)-1,2-oxazol-3-yl]urea has a molecular weight of 211.22 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(oxan-4-yl)-1,2-oxazol-3-yl]urea is sourced from PubChem (CID 170578737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).