furan-3-ylurea

C5H6N2O2 — CID 101076529

IUPACfuran-3-ylurea
SMILESNC(=O)Nc1ccoc1
InChIInChI=1S/C5H6N2O2/c6-5(8)7-4-1-2-9-3-4/h1-3H,(H3,6,7,8)
InChIKeyLLMWJXBBMVCMQK-UHFFFAOYSA-N
MW126.11 g/mol
LogP0.77
Rot. Bonds1

About furan-3-ylurea

furan-3-ylurea (PubChem CID 101076529) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is furan-3-ylurea.

Molecular Properties

Compound Namefuran-3-ylurea
PubChem CID101076529
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC Namefuran-3-ylurea
SMILESNC(=O)Nc1ccoc1
InChIInChI=1S/C5H6N2O2/c6-5(8)7-4-1-2-9-3-4/h1-3H,(H3,6,7,8)
InChIKeyLLMWJXBBMVCMQK-UHFFFAOYSA-N
XLogP0.77
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze furan-3-ylurea 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

tert-butyl N-(furan-3-yl)carbamate
CID 12207186
3-Acetamidofuran
CID 521882
Furan-3-yl(trimethyl)azanium
CID 199991
3-(furan-3-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 54345271
5-fluoro-3-(furan-3-yl)-1H-pyrimidine-2,4-dione
CID 66697579
5-Fluoro-1-(furan-3-yl)pyrimidine-2,4-dione
CID 69626237
N-(2-fluoroethyl)furan-3-amine
CID 140143628
N-(2,2-difluoroethyl)furan-3-amine
CID 151412690
N-(furan-3-yl)pent-4-enamide
CID 11105709
N-butylfuran-3-amine
CID 12009357
methyl N-(furan-3-yl)carbamate
CID 12963185
ethyl N-(furan-3-yl)carbamate
CID 13742101

Frequently Asked Questions

What is the IUPAC name of furan-3-ylurea?
The IUPAC name of furan-3-ylurea (CID 101076529) is furan-3-ylurea.
What is the SMILES notation for furan-3-ylurea?
The canonical SMILES for furan-3-ylurea is NC(=O)Nc1ccoc1.
What is the InChIKey of furan-3-ylurea?
The InChIKey is LLMWJXBBMVCMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2/c6-5(8)7-4-1-2-9-3-4/h1-3H,(H3,6,7,8).
What are the key properties of furan-3-ylurea?
furan-3-ylurea has a molecular weight of 126.11 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-ylurea is sourced from PubChem (CID 101076529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).