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

C11H10N4O5 — CID 17282033

IUPAC1-(2-methoxy-4-nitrophenyl)-3-(1,2-oxazol-3-yl)urea
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccon1
InChIInChI=1S/C11H10N4O5/c1-19-9-6-7(15(17)18)2-3-8(9)12-11(16)13-10-4-5-20-14-10/h2-6H,1H3,(H2,12,13,14,16)
InChIKeyQNKBPXDIUZQKOM-UHFFFAOYSA-N
MW278.22 g/mol
LogP2.24
Rot. Bonds4

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

1-(2-methoxy-4-nitrophenyl)-3-(1,2-oxazol-3-yl)urea (PubChem CID 17282033) has the molecular formula C11H10N4O5 and a molecular weight of 278.22 g/mol. Its IUPAC name is 1-(2-methoxy-4-nitrophenyl)-3-(1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-(2-methoxy-4-nitrophenyl)-3-(1,2-oxazol-3-yl)urea
PubChem CID17282033
Molecular FormulaC11H10N4O5
Molecular Weight278.22 g/mol
Exact Mass278.07
IUPAC Name1-(2-methoxy-4-nitrophenyl)-3-(1,2-oxazol-3-yl)urea
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccon1
InChIInChI=1S/C11H10N4O5/c1-19-9-6-7(15(17)18)2-3-8(9)12-11(16)13-10-4-5-20-14-10/h2-6H,1H3,(H2,12,13,14,16)
InChIKeyQNKBPXDIUZQKOM-UHFFFAOYSA-N
XLogP2.24
TPSA119.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(3,4-dichlorophenyl)-3-(2-methoxy-4-nitrophenyl)urea
CID 2963634
1-ethyl-3-(2-methoxy-4-nitrophenyl)urea
CID 108890439
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-(4-methoxy-2-methylphenyl)-3-(2-methoxy-4-nitrophenyl)urea
CID 17381058
1-cyclopropyl-3-(2-methoxy-4-nitrophenyl)urea
CID 108887567
(2S)-2-[(2-methoxy-4-nitrophenyl)carbamoylamino]propanoic acid
CID 62881546
2,6-dimethoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 4285710
1-[(2-methoxy-4-nitrophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62881395
(2S)-2-amino-N-(2-methoxy-4-nitrophenyl)-3-methylbutanamide
CID 61179494
1-(2-methoxy-4-nitrophenyl)-3-(oxolan-3-yl)urea
CID 116655695
1-N,3-N-bis(2-methoxy-4-nitrophenyl)benzene-1,3-dicarboxamide
CID 4588723

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-nitrophenyl)-3-(1,2-oxazol-3-yl)urea?
The IUPAC name of 1-(2-methoxy-4-nitrophenyl)-3-(1,2-oxazol-3-yl)urea (CID 17282033) is 1-(2-methoxy-4-nitrophenyl)-3-(1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-(2-methoxy-4-nitrophenyl)-3-(1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-(2-methoxy-4-nitrophenyl)-3-(1,2-oxazol-3-yl)urea is COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccon1.
What is the InChIKey of 1-(2-methoxy-4-nitrophenyl)-3-(1,2-oxazol-3-yl)urea?
The InChIKey is QNKBPXDIUZQKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O5/c1-19-9-6-7(15(17)18)2-3-8(9)12-11(16)13-10-4-5-20-14-10/h2-6H,1H3,(H2,12,13,14,16).
What are the key properties of 1-(2-methoxy-4-nitrophenyl)-3-(1,2-oxazol-3-yl)urea?
1-(2-methoxy-4-nitrophenyl)-3-(1,2-oxazol-3-yl)urea has a molecular weight of 278.22 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-nitrophenyl)-3-(1,2-oxazol-3-yl)urea is sourced from PubChem (CID 17282033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).