(3,4-dimethyl-1,2-oxazol-5-yl)urea

C6H9N3O2 — CID 57357233

IUPAC(3,4-dimethyl-1,2-oxazol-5-yl)urea
SMILESCc1noc(NC(N)=O)c1C
InChIInChI=1S/C6H9N3O2/c1-3-4(2)9-11-5(3)8-6(7)10/h1-2H3,(H3,7,8,10)
InChIKeyPIJAZECBFDYUPN-UHFFFAOYSA-N
MW155.16 g/mol
LogP0.78
Rot. Bonds1

About (3,4-dimethyl-1,2-oxazol-5-yl)urea

(3,4-dimethyl-1,2-oxazol-5-yl)urea (PubChem CID 57357233) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is (3,4-dimethyl-1,2-oxazol-5-yl)urea.

Molecular Properties

Compound Name(3,4-dimethyl-1,2-oxazol-5-yl)urea
PubChem CID57357233
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name(3,4-dimethyl-1,2-oxazol-5-yl)urea
SMILESCc1noc(NC(N)=O)c1C
InChIInChI=1S/C6H9N3O2/c1-3-4(2)9-11-5(3)8-6(7)10/h1-2H3,(H3,7,8,10)
InChIKeyPIJAZECBFDYUPN-UHFFFAOYSA-N
XLogP0.78
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethyl-1,2-oxazol-5-yl)urea?
The IUPAC name of (3,4-dimethyl-1,2-oxazol-5-yl)urea (CID 57357233) is (3,4-dimethyl-1,2-oxazol-5-yl)urea.
What is the SMILES notation for (3,4-dimethyl-1,2-oxazol-5-yl)urea?
The canonical SMILES for (3,4-dimethyl-1,2-oxazol-5-yl)urea is Cc1noc(NC(N)=O)c1C.
What is the InChIKey of (3,4-dimethyl-1,2-oxazol-5-yl)urea?
The InChIKey is PIJAZECBFDYUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-3-4(2)9-11-5(3)8-6(7)10/h1-2H3,(H3,7,8,10).
What are the key properties of (3,4-dimethyl-1,2-oxazol-5-yl)urea?
(3,4-dimethyl-1,2-oxazol-5-yl)urea has a molecular weight of 155.16 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethyl-1,2-oxazol-5-yl)urea is sourced from PubChem (CID 57357233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).