1-amino-3-(1,2-oxazol-3-ylmethyl)urea

C5H8N4O2 — CID 81177768

IUPAC1-amino-3-(1,2-oxazol-3-ylmethyl)urea
SMILESNNC(=O)NCc1ccon1
InChIInChI=1S/C5H8N4O2/c6-8-5(10)7-3-4-1-2-11-9-4/h1-2H,3,6H2,(H2,7,8,10)
InChIKeyHCNBWECULXDYDY-UHFFFAOYSA-N
MW156.15 g/mol
LogP-0.65
Rot. Bonds2

About 1-amino-3-(1,2-oxazol-3-ylmethyl)urea

1-amino-3-(1,2-oxazol-3-ylmethyl)urea (PubChem CID 81177768) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is 1-amino-3-(1,2-oxazol-3-ylmethyl)urea.

Molecular Properties

Compound Name1-amino-3-(1,2-oxazol-3-ylmethyl)urea
PubChem CID81177768
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Name1-amino-3-(1,2-oxazol-3-ylmethyl)urea
SMILESNNC(=O)NCc1ccon1
InChIInChI=1S/C5H8N4O2/c6-8-5(10)7-3-4-1-2-11-9-4/h1-2H,3,6H2,(H2,7,8,10)
InChIKeyHCNBWECULXDYDY-UHFFFAOYSA-N
XLogP-0.65
TPSA93.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-amino-3-(1,2-oxazol-3-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,2-oxazol-3-ylmethyl)-3-propylurea
CID 115672343
ethyl 2-(1,2-oxazol-3-ylmethylcarbamoylamino)acetate
CID 79493406
1-amino-2-methyl-3-(1,2-oxazol-3-ylmethyl)guanidine
CID 116510992
1-methyl-N-(1,2-oxazol-3-ylmethyl)cyclopropane-1-carboxamide
CID 131086599
2-chloro-N-(1,2-oxazol-3-ylmethylcarbamoyl)propanamide
CID 81177144
3-(1,2-oxazol-3-ylmethylcarbamoylamino)benzoic acid
CID 81177747
2-(methylamino)-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 81171210
7-(1,2-oxazol-3-ylmethylcarbamoylamino)heptanoic acid
CID 81177356
2-[(1,2-oxazol-3-ylmethylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 114325404
2-amino-N-[2-(1,2-oxazol-3-ylmethylamino)-2-oxoethyl]acetamide;hydrochloride
CID 167874068
2-chloro-5-(1,2-oxazol-3-ylmethylcarbamoylamino)benzoic acid
CID 81178009
1-[2-(4-tert-butylphenyl)-2-methylpropyl]-3-(1,2-oxazol-3-ylmethyl)urea
CID 91646314

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1,2-oxazol-3-ylmethyl)urea?
The IUPAC name of 1-amino-3-(1,2-oxazol-3-ylmethyl)urea (CID 81177768) is 1-amino-3-(1,2-oxazol-3-ylmethyl)urea.
What is the SMILES notation for 1-amino-3-(1,2-oxazol-3-ylmethyl)urea?
The canonical SMILES for 1-amino-3-(1,2-oxazol-3-ylmethyl)urea is NNC(=O)NCc1ccon1.
What is the InChIKey of 1-amino-3-(1,2-oxazol-3-ylmethyl)urea?
The InChIKey is HCNBWECULXDYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c6-8-5(10)7-3-4-1-2-11-9-4/h1-2H,3,6H2,(H2,7,8,10).
What are the key properties of 1-amino-3-(1,2-oxazol-3-ylmethyl)urea?
1-amino-3-(1,2-oxazol-3-ylmethyl)urea has a molecular weight of 156.15 g/mol, XLogP of -0.65, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1,2-oxazol-3-ylmethyl)urea is sourced from PubChem (CID 81177768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).