1,3-oxazol-5-ylurea

C4H5N3O2 — CID 69040482

IUPAC1,3-oxazol-5-ylurea
SMILESNC(=O)Nc1cnco1
InChIInChI=1S/C4H5N3O2/c5-4(8)7-3-1-6-2-9-3/h1-2H,(H3,5,7,8)
InChIKeyLACGATNWGDNWCB-UHFFFAOYSA-N
MW127.10 g/mol
LogP0.17
Rot. Bonds1

About 1,3-oxazol-5-ylurea

1,3-oxazol-5-ylurea (PubChem CID 69040482) has the molecular formula C4H5N3O2 and a molecular weight of 127.10 g/mol. Its IUPAC name is 1,3-oxazol-5-ylurea.

Molecular Properties

Compound Name1,3-oxazol-5-ylurea
PubChem CID69040482
Molecular FormulaC4H5N3O2
Molecular Weight127.10 g/mol
Exact Mass127.04
IUPAC Name1,3-oxazol-5-ylurea
SMILESNC(=O)Nc1cnco1
InChIInChI=1S/C4H5N3O2/c5-4(8)7-3-1-6-2-9-3/h1-2H,(H3,5,7,8)
InChIKeyLACGATNWGDNWCB-UHFFFAOYSA-N
XLogP0.17
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazol-5-ylurea?
The IUPAC name of 1,3-oxazol-5-ylurea (CID 69040482) is 1,3-oxazol-5-ylurea.
What is the SMILES notation for 1,3-oxazol-5-ylurea?
The canonical SMILES for 1,3-oxazol-5-ylurea is NC(=O)Nc1cnco1.
What is the InChIKey of 1,3-oxazol-5-ylurea?
The InChIKey is LACGATNWGDNWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O2/c5-4(8)7-3-1-6-2-9-3/h1-2H,(H3,5,7,8).
What are the key properties of 1,3-oxazol-5-ylurea?
1,3-oxazol-5-ylurea has a molecular weight of 127.10 g/mol, XLogP of 0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazol-5-ylurea is sourced from PubChem (CID 69040482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).