1-[(2,5-dimethylfuran-3-yl)methyl]-3-(oxolan-2-ylmethyl)urea

C13H20N2O3 — CID 91812822

IUPAC1-[(2,5-dimethylfuran-3-yl)methyl]-3-(oxolan-2-ylmethyl)urea
SMILESCc1cc(CNC(=O)NCC2CCCO2)c(C)o1
InChIInChI=1S/C13H20N2O3/c1-9-6-11(10(2)18-9)7-14-13(16)15-8-12-4-3-5-17-12/h6,12H,3-5,7-8H2,1-2H3,(H2,14,15,16)
InChIKeyNMARDCLTSISIEO-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.87
Rot. Bonds4

About 1-[(2,5-dimethylfuran-3-yl)methyl]-3-(oxolan-2-ylmethyl)urea

1-[(2,5-dimethylfuran-3-yl)methyl]-3-(oxolan-2-ylmethyl)urea (PubChem CID 91812822) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-[(2,5-dimethylfuran-3-yl)methyl]-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(2,5-dimethylfuran-3-yl)methyl]-3-(oxolan-2-ylmethyl)urea
PubChem CID91812822
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-[(2,5-dimethylfuran-3-yl)methyl]-3-(oxolan-2-ylmethyl)urea
SMILESCc1cc(CNC(=O)NCC2CCCO2)c(C)o1
InChIInChI=1S/C13H20N2O3/c1-9-6-11(10(2)18-9)7-14-13(16)15-8-12-4-3-5-17-12/h6,12H,3-5,7-8H2,1-2H3,(H2,14,15,16)
InChIKeyNMARDCLTSISIEO-UHFFFAOYSA-N
XLogP1.87
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-dimethyl-3-furyl)methyl]-N-hydroxyurea
CID 10726150
1-Tert-butyl-3-furfurylurea
CID 307075
N-hydroxy-N-[1-(5-methyl-3-furyl)ethyl]urea
CID 10607535
2,5-dimethyl-N-[1-(tetrahydro-2-furanyl)ethyl]-3-furamide
CID 6467087
N-[1-(2,5-dimethyl-3-furyl)ethyl]-N-hydroxyurea
CID 10535951
1-Butyl-3-furfurylurea
CID 240057
3-[(Furan-2-YL)methyl]-1-methyl-1-[(oxan-4-YL)methyl]urea
CID 91914987
2-methyl-N-[1-(oxolan-2-yl)ethyl]furan-3-carboxamide
CID 2971248
1-(Furan-2-ylmethyl)-3-(3-phenylpropyl)urea
CID 47125855
1-(Furan-2-ylmethyl)-1-methyl-3-[(4-methylphenyl)methyl]urea
CID 25591579
1-Cyclopropyl-1-[(5-methylfuran-2-yl)methyl]-3-(oxolan-2-ylmethyl)urea
CID 47236984
N-[(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethylpropanamide
CID 56765534

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylfuran-3-yl)methyl]-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-[(2,5-dimethylfuran-3-yl)methyl]-3-(oxolan-2-ylmethyl)urea (CID 91812822) is 1-[(2,5-dimethylfuran-3-yl)methyl]-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-[(2,5-dimethylfuran-3-yl)methyl]-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-[(2,5-dimethylfuran-3-yl)methyl]-3-(oxolan-2-ylmethyl)urea is Cc1cc(CNC(=O)NCC2CCCO2)c(C)o1.
What is the InChIKey of 1-[(2,5-dimethylfuran-3-yl)methyl]-3-(oxolan-2-ylmethyl)urea?
The InChIKey is NMARDCLTSISIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9-6-11(10(2)18-9)7-14-13(16)15-8-12-4-3-5-17-12/h6,12H,3-5,7-8H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-[(2,5-dimethylfuran-3-yl)methyl]-3-(oxolan-2-ylmethyl)urea?
1-[(2,5-dimethylfuran-3-yl)methyl]-3-(oxolan-2-ylmethyl)urea has a molecular weight of 252.31 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylfuran-3-yl)methyl]-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 91812822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).