1-(3-methoxyphenyl)-3-(5-oxo-2H-furan-3-yl)urea

C12H12N2O4 — CID 18330655

IUPAC1-(3-methoxyphenyl)-3-(5-oxo-2H-furan-3-yl)urea
SMILESCOc1cccc(NC(=O)NC2=CC(=O)OC2)c1
InChIInChI=1S/C12H12N2O4/c1-17-10-4-2-3-8(5-10)13-12(16)14-9-6-11(15)18-7-9/h2-6H,7H2,1H3,(H2,13,14,16)
InChIKeyOTJPAGMIEVJKSN-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.26
Rot. Bonds3

About 1-(3-methoxyphenyl)-3-(5-oxo-2H-furan-3-yl)urea

1-(3-methoxyphenyl)-3-(5-oxo-2H-furan-3-yl)urea (PubChem CID 18330655) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-(5-oxo-2H-furan-3-yl)urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-(5-oxo-2H-furan-3-yl)urea
PubChem CID18330655
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name1-(3-methoxyphenyl)-3-(5-oxo-2H-furan-3-yl)urea
SMILESCOc1cccc(NC(=O)NC2=CC(=O)OC2)c1
InChIInChI=1S/C12H12N2O4/c1-17-10-4-2-3-8(5-10)13-12(16)14-9-6-11(15)18-7-9/h2-6H,7H2,1H3,(H2,13,14,16)
InChIKeyOTJPAGMIEVJKSN-UHFFFAOYSA-N
XLogP1.26
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dihydroxyphenyl)-3-(3-methoxyphenyl)urea
CID 108895444
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
1-cyano-3-(3-methoxyphenyl)urea
CID 22351200
1-(furan-2-yl)-3-(3-methoxyphenyl)urea
CID 108868447
1-(3,4-diaminophenyl)-3-(3-methoxyphenyl)urea
CID 155694037
1-(3-methoxyphenyl)-3-pyrimidin-2-ylurea
CID 108869136
4-[(3-methoxyphenyl)carbamoylamino]benzoic acid
CID 4286151
1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)urea
CID 6469067
1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)urea
CID 69014425
methane;N-(3-methoxyphenyl)acetamide
CID 161026095
1-(5-chloro-3-pyridinyl)-3-(3-methoxyphenyl)urea
CID 35290961

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-(5-oxo-2H-furan-3-yl)urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-(5-oxo-2H-furan-3-yl)urea (CID 18330655) is 1-(3-methoxyphenyl)-3-(5-oxo-2H-furan-3-yl)urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-(5-oxo-2H-furan-3-yl)urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-(5-oxo-2H-furan-3-yl)urea is COc1cccc(NC(=O)NC2=CC(=O)OC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-(5-oxo-2H-furan-3-yl)urea?
The InChIKey is OTJPAGMIEVJKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-17-10-4-2-3-8(5-10)13-12(16)14-9-6-11(15)18-7-9/h2-6H,7H2,1H3,(H2,13,14,16).
What are the key properties of 1-(3-methoxyphenyl)-3-(5-oxo-2H-furan-3-yl)urea?
1-(3-methoxyphenyl)-3-(5-oxo-2H-furan-3-yl)urea has a molecular weight of 248.24 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-(5-oxo-2H-furan-3-yl)urea is sourced from PubChem (CID 18330655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).