1-benzyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea

C14H18N2O2 — CID 103760232

IUPAC1-benzyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
SMILESO=C(NCc1ccccc1)NC1CC2CCC1O2
InChIInChI=1S/C14H18N2O2/c17-14(15-9-10-4-2-1-3-5-10)16-12-8-11-6-7-13(12)18-11/h1-5,11-13H,6-9H2,(H2,15,16,17)
InChIKeyITHQMGQIWKENFF-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.81
Rot. Bonds3

About 1-benzyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea

1-benzyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea (PubChem CID 103760232) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-benzyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea.

Molecular Properties

Compound Name1-benzyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
PubChem CID103760232
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-benzyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
SMILESO=C(NCc1ccccc1)NC1CC2CCC1O2
InChIInChI=1S/C14H18N2O2/c17-14(15-9-10-4-2-1-3-5-10)16-12-8-11-6-7-13(12)18-11/h1-5,11-13H,6-9H2,(H2,15,16,17)
InChIKeyITHQMGQIWKENFF-UHFFFAOYSA-N
XLogP1.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)methyl]furan-2-carboxylic acid
CID 80720484
1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-[[4-(propylamino)phenyl]methyl]urea
CID 119039707
1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea
CID 98849989
1-[[3-(cyclopentyloxymethyl)phenyl]methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 98849858
1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea
CID 129378614
(1S,2R,4R)-N-benzyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 124504672
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 98227718
1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]urea
CID 98873454
1-[(2-bromothiophen-3-yl)methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 124843904
1-benzyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide
CID 71919724
1-[(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 113311471
1-[[(2R,3R)-1-methyl-2-phenylpiperidin-3-yl]methyl]-3-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 129424882

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The IUPAC name of 1-benzyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea (CID 103760232) is 1-benzyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea.
What is the SMILES notation for 1-benzyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The canonical SMILES for 1-benzyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea is O=C(NCc1ccccc1)NC1CC2CCC1O2.
What is the InChIKey of 1-benzyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The InChIKey is ITHQMGQIWKENFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-14(15-9-10-4-2-1-3-5-10)16-12-8-11-6-7-13(12)18-11/h1-5,11-13H,6-9H2,(H2,15,16,17).
What are the key properties of 1-benzyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
1-benzyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea has a molecular weight of 246.31 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea is sourced from PubChem (CID 103760232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).