1-(2-methoxyethyl)-3-(1,3-oxazol-4-yl)urea

C7H11N3O3 — CID 130626516

IUPAC1-(2-methoxyethyl)-3-(1,3-oxazol-4-yl)urea
SMILESCOCCNC(=O)Nc1cocn1
InChIInChI=1S/C7H11N3O3/c1-12-3-2-8-7(11)10-6-4-13-5-9-6/h4-5H,2-3H2,1H3,(H2,8,10,11)
InChIKeyVVBTWARHNQJBAQ-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.44
Rot. Bonds4

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

1-(2-methoxyethyl)-3-(1,3-oxazol-4-yl)urea (PubChem CID 130626516) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(1,3-oxazol-4-yl)urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(1,3-oxazol-4-yl)urea
PubChem CID130626516
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name1-(2-methoxyethyl)-3-(1,3-oxazol-4-yl)urea
SMILESCOCCNC(=O)Nc1cocn1
InChIInChI=1S/C7H11N3O3/c1-12-3-2-8-7(11)10-6-4-13-5-9-6/h4-5H,2-3H2,1H3,(H2,8,10,11)
InChIKeyVVBTWARHNQJBAQ-UHFFFAOYSA-N
XLogP0.44
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethyl)-3-(5-methyl-2-pyridinyl)urea
CID 84600557
1-(2,6-dimethoxyphenyl)-3-(2-methoxyethyl)urea
CID 108867809
1-(2-ethoxyphenyl)-3-(2-methoxyethyl)urea
CID 47032357
1-(3,5-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 47194755
1-(2-methoxyethyl)-3-(2-methoxy-3-pyridinyl)urea
CID 47223034
1-(3-ethoxy-4-methylphenyl)-3-(2-methoxyethyl)urea
CID 56824215
1-[2-(furan-3-yl)ethyl]-3-(2-methoxyethyl)urea
CID 71798548
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-methoxyethyl)urea
CID 47196271
1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 47135210
1-(2-methoxyethyl)-3-(4-methylsulfanylphenyl)urea
CID 47033133
1-(3,5-dichloro-4-methylphenyl)-3-(2-methoxyethyl)urea
CID 60591458
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(2-methoxyethyl)urea
CID 112975608

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(1,3-oxazol-4-yl)urea?
The IUPAC name of 1-(2-methoxyethyl)-3-(1,3-oxazol-4-yl)urea (CID 130626516) is 1-(2-methoxyethyl)-3-(1,3-oxazol-4-yl)urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(1,3-oxazol-4-yl)urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-(1,3-oxazol-4-yl)urea is COCCNC(=O)Nc1cocn1.
What is the InChIKey of 1-(2-methoxyethyl)-3-(1,3-oxazol-4-yl)urea?
The InChIKey is VVBTWARHNQJBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-12-3-2-8-7(11)10-6-4-13-5-9-6/h4-5H,2-3H2,1H3,(H2,8,10,11).
What are the key properties of 1-(2-methoxyethyl)-3-(1,3-oxazol-4-yl)urea?
1-(2-methoxyethyl)-3-(1,3-oxazol-4-yl)urea has a molecular weight of 185.18 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(1,3-oxazol-4-yl)urea is sourced from PubChem (CID 130626516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).