2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethylurea

C9H16N4O2 — CID 83111738

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethylurea
SMILESCc1noc(C)c1CNCCNC(N)=O
InChIInChI=1S/C9H16N4O2/c1-6-8(7(2)15-13-6)5-11-3-4-12-9(10)14/h11H,3-5H2,1-2H3,(H3,10,12,14)
InChIKeyHXPSRKIOWNVCEX-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.05
Rot. Bonds5

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethylurea

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethylurea (PubChem CID 83111738) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethylurea.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethylurea
PubChem CID83111738
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethylurea
SMILESCc1noc(C)c1CNCCNC(N)=O
InChIInChI=1S/C9H16N4O2/c1-6-8(7(2)15-13-6)5-11-3-4-12-9(10)14/h11H,3-5H2,1-2H3,(H3,10,12,14)
InChIKeyHXPSRKIOWNVCEX-UHFFFAOYSA-N
XLogP0.05
TPSA93.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 60887968
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethanol
CID 28833064
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-ethylpropanamide
CID 79241462
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 28780717
N'-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 103718793
ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]acetate
CID 60812133
2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]ethylurea
CID 83109596
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylsulfonylethanamine
CID 60920492
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxyethanamine
CID 28780758
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,N-dimethylacetamide
CID 43214592
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propanamide
CID 79235982
1-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclobutane-1-carboxamide
CID 81168317

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethylurea?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethylurea (CID 83111738) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethylurea.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethylurea?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethylurea is Cc1noc(C)c1CNCCNC(N)=O.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethylurea?
The InChIKey is HXPSRKIOWNVCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-6-8(7(2)15-13-6)5-11-3-4-12-9(10)14/h11H,3-5H2,1-2H3,(H3,10,12,14).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethylurea?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethylurea has a molecular weight of 212.25 g/mol, XLogP of 0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethylurea is sourced from PubChem (CID 83111738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).