1-(N'-methylcarbamimidoyl)-3-(1,3-oxazol-5-yl)urea

C6H9N5O2 — CID 70456697

IUPAC1-(N'-methylcarbamimidoyl)-3-(1,3-oxazol-5-yl)urea
SMILESC/N=C(\N)NC(=O)Nc1cnco1
InChIInChI=1S/C6H9N5O2/c1-8-5(7)11-6(12)10-4-2-9-3-13-4/h2-3H,1H3,(H4,7,8,10,11,12)
InChIKeyIVXHXHXBGXNHSO-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.26
Rot. Bonds1

About 1-(N'-methylcarbamimidoyl)-3-(1,3-oxazol-5-yl)urea

1-(N'-methylcarbamimidoyl)-3-(1,3-oxazol-5-yl)urea (PubChem CID 70456697) has the molecular formula C6H9N5O2 and a molecular weight of 183.17 g/mol. Its IUPAC name is 1-(N'-methylcarbamimidoyl)-3-(1,3-oxazol-5-yl)urea.

Molecular Properties

Compound Name1-(N'-methylcarbamimidoyl)-3-(1,3-oxazol-5-yl)urea
PubChem CID70456697
Molecular FormulaC6H9N5O2
Molecular Weight183.17 g/mol
Exact Mass183.08
IUPAC Name1-(N'-methylcarbamimidoyl)-3-(1,3-oxazol-5-yl)urea
SMILESC/N=C(\N)NC(=O)Nc1cnco1
InChIInChI=1S/C6H9N5O2/c1-8-5(7)11-6(12)10-4-2-9-3-13-4/h2-3H,1H3,(H4,7,8,10,11,12)
InChIKeyIVXHXHXBGXNHSO-UHFFFAOYSA-N
XLogP-0.26
TPSA105.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(N'-methylcarbamimidoyl)-3-(1,3-oxazol-5-yl)urea?
The IUPAC name of 1-(N'-methylcarbamimidoyl)-3-(1,3-oxazol-5-yl)urea (CID 70456697) is 1-(N'-methylcarbamimidoyl)-3-(1,3-oxazol-5-yl)urea.
What is the SMILES notation for 1-(N'-methylcarbamimidoyl)-3-(1,3-oxazol-5-yl)urea?
The canonical SMILES for 1-(N'-methylcarbamimidoyl)-3-(1,3-oxazol-5-yl)urea is C/N=C(\N)NC(=O)Nc1cnco1.
What is the InChIKey of 1-(N'-methylcarbamimidoyl)-3-(1,3-oxazol-5-yl)urea?
The InChIKey is IVXHXHXBGXNHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O2/c1-8-5(7)11-6(12)10-4-2-9-3-13-4/h2-3H,1H3,(H4,7,8,10,11,12).
What are the key properties of 1-(N'-methylcarbamimidoyl)-3-(1,3-oxazol-5-yl)urea?
1-(N'-methylcarbamimidoyl)-3-(1,3-oxazol-5-yl)urea has a molecular weight of 183.17 g/mol, XLogP of -0.26, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N'-methylcarbamimidoyl)-3-(1,3-oxazol-5-yl)urea is sourced from PubChem (CID 70456697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).