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

C5H7N3O2 — CID 21431588

IUPAC1-methyl-3-(1,2-oxazol-5-yl)urea
SMILESCNC(=O)Nc1ccno1
InChIInChI=1S/C5H7N3O2/c1-6-5(9)8-4-2-3-7-10-4/h2-3H,1H3,(H2,6,8,9)
InChIKeyIUMBAPGNNRTRFT-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.43
Rot. Bonds1

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

1-methyl-3-(1,2-oxazol-5-yl)urea (PubChem CID 21431588) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 1-methyl-3-(1,2-oxazol-5-yl)urea.

Molecular Properties

Compound Name1-methyl-3-(1,2-oxazol-5-yl)urea
PubChem CID21431588
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name1-methyl-3-(1,2-oxazol-5-yl)urea
SMILESCNC(=O)Nc1ccno1
InChIInChI=1S/C5H7N3O2/c1-6-5(9)8-4-2-3-7-10-4/h2-3H,1H3,(H2,6,8,9)
InChIKeyIUMBAPGNNRTRFT-UHFFFAOYSA-N
XLogP0.43
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1,2-oxazol-5-yl)urea?
The IUPAC name of 1-methyl-3-(1,2-oxazol-5-yl)urea (CID 21431588) is 1-methyl-3-(1,2-oxazol-5-yl)urea.
What is the SMILES notation for 1-methyl-3-(1,2-oxazol-5-yl)urea?
The canonical SMILES for 1-methyl-3-(1,2-oxazol-5-yl)urea is CNC(=O)Nc1ccno1.
What is the InChIKey of 1-methyl-3-(1,2-oxazol-5-yl)urea?
The InChIKey is IUMBAPGNNRTRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-6-5(9)8-4-2-3-7-10-4/h2-3H,1H3,(H2,6,8,9).
What are the key properties of 1-methyl-3-(1,2-oxazol-5-yl)urea?
1-methyl-3-(1,2-oxazol-5-yl)urea has a molecular weight of 141.13 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1,2-oxazol-5-yl)urea is sourced from PubChem (CID 21431588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).