1-(2-methoxy-4-nitrophenyl)-3-(oxolan-3-yl)urea

C12H15N3O5 — CID 116655695

IUPAC1-(2-methoxy-4-nitrophenyl)-3-(oxolan-3-yl)urea
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)NC1CCOC1
InChIInChI=1S/C12H15N3O5/c1-19-11-6-9(15(17)18)2-3-10(11)14-12(16)13-8-4-5-20-7-8/h2-3,6,8H,4-5,7H2,1H3,(H2,13,14,16)
InChIKeyWTKYRZIVXZKBQH-UHFFFAOYSA-N
MW281.27 g/mol
LogP1.51
Rot. Bonds4

About 1-(2-methoxy-4-nitrophenyl)-3-(oxolan-3-yl)urea

1-(2-methoxy-4-nitrophenyl)-3-(oxolan-3-yl)urea (PubChem CID 116655695) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 1-(2-methoxy-4-nitrophenyl)-3-(oxolan-3-yl)urea.

Molecular Properties

Compound Name1-(2-methoxy-4-nitrophenyl)-3-(oxolan-3-yl)urea
PubChem CID116655695
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name1-(2-methoxy-4-nitrophenyl)-3-(oxolan-3-yl)urea
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)NC1CCOC1
InChIInChI=1S/C12H15N3O5/c1-19-11-6-9(15(17)18)2-3-10(11)14-12(16)13-8-4-5-20-7-8/h2-3,6,8H,4-5,7H2,1H3,(H2,13,14,16)
InChIKeyWTKYRZIVXZKBQH-UHFFFAOYSA-N
XLogP1.51
TPSA102.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 51.51
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'}

Analyze 1-(2-methoxy-4-nitrophenyl)-3-(oxolan-3-yl)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-cyclopropyl-3-(2-methoxy-4-nitrophenyl)urea
CID 108887567
1-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]-3-(oxolan-3-yl)urea
CID 104849955
1-(2,5-dimethyl-4-nitrophenyl)-3-(oxolan-3-yl)urea
CID 103145299
N-(2-methoxy-4-nitrophenyl)oxepan-4-amine
CID 65081486
1-ethyl-3-(2-methoxy-4-nitrophenyl)urea
CID 108890439
1-[(E)-2-cyclopentylethenyl]-3-(2-methoxy-4-nitrophenyl)urea
CID 108911715
1-(2-methoxy-4-nitrophenyl)-3-(1,2-oxazol-3-yl)urea
CID 17282033
(2S)-2-[(2-methoxy-4-nitrophenyl)carbamoylamino]propanoic acid
CID 62881546
1-(4-methoxy-2-methylphenyl)-3-(2-methoxy-4-nitrophenyl)urea
CID 17381058
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4-nitrophenyl)urea
CID 108875488
1-(2-methoxy-4-nitrophenyl)-3-(2-sulfanylphenyl)urea
CID 108886341
1-cyclopropyl-3-(2-hydroxy-4-nitrophenyl)urea
CID 107745859

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-nitrophenyl)-3-(oxolan-3-yl)urea?
The IUPAC name of 1-(2-methoxy-4-nitrophenyl)-3-(oxolan-3-yl)urea (CID 116655695) is 1-(2-methoxy-4-nitrophenyl)-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1-(2-methoxy-4-nitrophenyl)-3-(oxolan-3-yl)urea?
The canonical SMILES for 1-(2-methoxy-4-nitrophenyl)-3-(oxolan-3-yl)urea is COc1cc([N+](=O)[O-])ccc1NC(=O)NC1CCOC1.
What is the InChIKey of 1-(2-methoxy-4-nitrophenyl)-3-(oxolan-3-yl)urea?
The InChIKey is WTKYRZIVXZKBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-19-11-6-9(15(17)18)2-3-10(11)14-12(16)13-8-4-5-20-7-8/h2-3,6,8H,4-5,7H2,1H3,(H2,13,14,16).
What are the key properties of 1-(2-methoxy-4-nitrophenyl)-3-(oxolan-3-yl)urea?
1-(2-methoxy-4-nitrophenyl)-3-(oxolan-3-yl)urea has a molecular weight of 281.27 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-nitrophenyl)-3-(oxolan-3-yl)urea is sourced from PubChem (CID 116655695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).