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

C10H8N4O4 — CID 108814006

IUPAC1-(4-nitrophenyl)-3-(1,2-oxazol-5-yl)urea
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccno1
InChIInChI=1S/C10H8N4O4/c15-10(13-9-5-6-11-18-9)12-7-1-3-8(4-2-7)14(16)17/h1-6H,(H2,12,13,15)
InChIKeyXUGKUERNEHWRNX-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.23
Rot. Bonds3

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

1-(4-nitrophenyl)-3-(1,2-oxazol-5-yl)urea (PubChem CID 108814006) has the molecular formula C10H8N4O4 and a molecular weight of 248.20 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-3-(1,2-oxazol-5-yl)urea.

Molecular Properties

Compound Name1-(4-nitrophenyl)-3-(1,2-oxazol-5-yl)urea
PubChem CID108814006
Molecular FormulaC10H8N4O4
Molecular Weight248.20 g/mol
Exact Mass248.05
IUPAC Name1-(4-nitrophenyl)-3-(1,2-oxazol-5-yl)urea
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccno1
InChIInChI=1S/C10H8N4O4/c15-10(13-9-5-6-11-18-9)12-7-1-3-8(4-2-7)14(16)17/h1-6H,(H2,12,13,15)
InChIKeyXUGKUERNEHWRNX-UHFFFAOYSA-N
XLogP2.23
TPSA110.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-cyanophenyl)-3-(4-nitrophenyl)urea
CID 43386590
1-(4-nitrophenyl)-3-[4-(2-oxo-2-phenylacetyl)phenyl]urea
CID 3126804
1-(4-nitrophenyl)-3-(2-sulfanylphenyl)urea
CID 108886342
1-(4-nitrophenyl)-3-[6-[(4-nitrophenyl)carbamoylamino]acridin-3-yl]urea
CID 22503858
2,2,2-trifluoro-N-(4-nitrophenyl)acetamide
CID 616367
2-ethyl-N-(4-nitrophenyl)butanamide
CID 2931276
1-(4-nitrophenyl)-3-[6-[(4-nitrophenyl)carbamoylamino]hexyl]urea
CID 136817257
1-(2,3-dimethylquinoxalin-6-yl)-3-(4-nitrophenyl)urea
CID 108885515
1-(4-nitrophenyl)-3-(3,4,5,6-tetramethyl-2-pyridinyl)urea
CID 157090092
1-(4-nitrophenyl)-3-(oxetan-3-yl)urea
CID 113415274
1-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(4-nitrophenyl)urea
CID 104620513
1-[(2S)-butan-2-yl]-1-methyl-3-(4-nitrophenyl)urea
CID 94031767

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)-3-(1,2-oxazol-5-yl)urea?
The IUPAC name of 1-(4-nitrophenyl)-3-(1,2-oxazol-5-yl)urea (CID 108814006) is 1-(4-nitrophenyl)-3-(1,2-oxazol-5-yl)urea.
What is the SMILES notation for 1-(4-nitrophenyl)-3-(1,2-oxazol-5-yl)urea?
The canonical SMILES for 1-(4-nitrophenyl)-3-(1,2-oxazol-5-yl)urea is O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccno1.
What is the InChIKey of 1-(4-nitrophenyl)-3-(1,2-oxazol-5-yl)urea?
The InChIKey is XUGKUERNEHWRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O4/c15-10(13-9-5-6-11-18-9)12-7-1-3-8(4-2-7)14(16)17/h1-6H,(H2,12,13,15).
What are the key properties of 1-(4-nitrophenyl)-3-(1,2-oxazol-5-yl)urea?
1-(4-nitrophenyl)-3-(1,2-oxazol-5-yl)urea has a molecular weight of 248.20 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)-3-(1,2-oxazol-5-yl)urea is sourced from PubChem (CID 108814006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).