3-(furan-2-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)urea

C12H18N2O3 — CID 91905754

IUPAC3-(furan-2-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
SMILESCN(CC1CCOC1)C(=O)NCc1ccco1
InChIInChI=1S/C12H18N2O3/c1-14(8-10-4-6-16-9-10)12(15)13-7-11-3-2-5-17-11/h2-3,5,10H,4,6-9H2,1H3,(H,13,15)
InChIKeyPALVUWNJPGJUAI-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.46
Rot. Bonds4

About 3-(furan-2-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)urea

3-(furan-2-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)urea (PubChem CID 91905754) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)urea.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
PubChem CID91905754
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-(furan-2-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
SMILESCN(CC1CCOC1)C(=O)NCc1ccco1
InChIInChI=1S/C12H18N2O3/c1-14(8-10-4-6-16-9-10)12(15)13-7-11-3-2-5-17-11/h2-3,5,10H,4,6-9H2,1H3,(H,13,15)
InChIKeyPALVUWNJPGJUAI-UHFFFAOYSA-N
XLogP1.46
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(furan-2-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)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

N-(furan-2-ylmethyl)-2-(oxolan-3-ylamino)propanamide
CID 80712559
3-[2-(furan-2-yl)ethyl]-1-methyl-2-(2-methylpropyl)-1-(oxolan-3-ylmethyl)guanidine
CID 109385768
1,3-dimethyl-1-[[(3S)-oxolan-3-yl]methyl]urea
CID 163816588
3-(2,6-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 110875844
3-[2-(furan-2-yl)ethyl]-1-methyl-1-(oxolan-3-ylmethyl)-2-(thiophen-2-ylmethyl)guanidine
CID 109386983
3-[(3-fluorophenyl)methyl]-1-methyl-1-(oxan-4-ylmethyl)urea
CID 91914985
N-[3-[[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 109382309
1-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-3-(furan-2-ylmethyl)-1-methylurea
CID 51926766
3-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 75376849
3-(3-chloro-2-methylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 110875829
3-(3,5-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 110875836
1-methyl-1-(oxolan-3-ylmethyl)-3-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]urea
CID 131901257

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)urea?
The IUPAC name of 3-(furan-2-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)urea (CID 91905754) is 3-(furan-2-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)urea.
What is the SMILES notation for 3-(furan-2-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)urea?
The canonical SMILES for 3-(furan-2-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)urea is CN(CC1CCOC1)C(=O)NCc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)urea?
The InChIKey is PALVUWNJPGJUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-14(8-10-4-6-16-9-10)12(15)13-7-11-3-2-5-17-11/h2-3,5,10H,4,6-9H2,1H3,(H,13,15).
What are the key properties of 3-(furan-2-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)urea?
3-(furan-2-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)urea has a molecular weight of 238.29 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)urea is sourced from PubChem (CID 91905754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).