1-(8-oxabicyclo[3.2.1]octan-3-ylmethyl)-3-(5-phenoxy-2-pyridinyl)urea

C20H23N3O3 — CID 166331322

IUPAC1-(8-oxabicyclo[3.2.1]octan-3-ylmethyl)-3-(5-phenoxy-2-pyridinyl)urea
SMILESO=C(NCC1CC2CCC(C1)O2)Nc1ccc(Oc2ccccc2)cn1
InChIInChI=1S/C20H23N3O3/c24-20(22-12-14-10-16-6-7-17(11-14)26-16)23-19-9-8-18(13-21-19)25-15-4-2-1-3-5-15/h1-5,8-9,13-14,16-17H,6-7,10-12H2,(H2,21,22,23,24)
InChIKeyYHPWNQAUPWPOHV-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.95
Rot. Bonds5

About 1-(8-oxabicyclo[3.2.1]octan-3-ylmethyl)-3-(5-phenoxy-2-pyridinyl)urea

1-(8-oxabicyclo[3.2.1]octan-3-ylmethyl)-3-(5-phenoxy-2-pyridinyl)urea (PubChem CID 166331322) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-(8-oxabicyclo[3.2.1]octan-3-ylmethyl)-3-(5-phenoxy-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(8-oxabicyclo[3.2.1]octan-3-ylmethyl)-3-(5-phenoxy-2-pyridinyl)urea
PubChem CID166331322
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-(8-oxabicyclo[3.2.1]octan-3-ylmethyl)-3-(5-phenoxy-2-pyridinyl)urea
SMILESO=C(NCC1CC2CCC(C1)O2)Nc1ccc(Oc2ccccc2)cn1
InChIInChI=1S/C20H23N3O3/c24-20(22-12-14-10-16-6-7-17(11-14)26-16)23-19-9-8-18(13-21-19)25-15-4-2-1-3-5-15/h1-5,8-9,13-14,16-17H,6-7,10-12H2,(H2,21,22,23,24)
InChIKeyYHPWNQAUPWPOHV-UHFFFAOYSA-N
XLogP3.95
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(8-oxabicyclo[3.2.1]octan-3-ylmethyl)-3-(5-phenoxy-2-pyridinyl)urea with MolForge

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Related Compounds

1-(5-phenoxy-2-pyridinyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 75456115
1-[(5-phenoxy-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid
CID 122089479
1-(cyclohexylmethyl)-3-(5-methyl-2-pyridinyl)urea
CID 108903057
1-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-(6-phenoxy-2-pyridinyl)urea
CID 138053836
N-[5-[[(5S)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]acetamide
CID 88979580
1-cyclopropyl-3-[6-(4-phenoxyanilino)pyridazin-3-yl]urea
CID 113049902
6-[[3-cyclopentyl-2-(4-phenoxyphenyl)propanoyl]amino]pyridine-3-carboxylic acid
CID 10274300
1-(5-methyl-2-pyridinyl)-3-[[(2S,3S)-2-phenyloxan-3-yl]methyl]urea
CID 129398613
1-[(2-methyloxan-4-yl)methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea
CID 75440822
1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-pyridin-3-yloxyphenyl)urea
CID 124755518
1-[[(2S,4R)-2-methyloxan-4-yl]methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea
CID 97255743
1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-(5-phenoxypyrimidin-2-yl)urea
CID 167782728

Frequently Asked Questions

What is the IUPAC name of 1-(8-oxabicyclo[3.2.1]octan-3-ylmethyl)-3-(5-phenoxy-2-pyridinyl)urea?
The IUPAC name of 1-(8-oxabicyclo[3.2.1]octan-3-ylmethyl)-3-(5-phenoxy-2-pyridinyl)urea (CID 166331322) is 1-(8-oxabicyclo[3.2.1]octan-3-ylmethyl)-3-(5-phenoxy-2-pyridinyl)urea.
What is the SMILES notation for 1-(8-oxabicyclo[3.2.1]octan-3-ylmethyl)-3-(5-phenoxy-2-pyridinyl)urea?
The canonical SMILES for 1-(8-oxabicyclo[3.2.1]octan-3-ylmethyl)-3-(5-phenoxy-2-pyridinyl)urea is O=C(NCC1CC2CCC(C1)O2)Nc1ccc(Oc2ccccc2)cn1.
What is the InChIKey of 1-(8-oxabicyclo[3.2.1]octan-3-ylmethyl)-3-(5-phenoxy-2-pyridinyl)urea?
The InChIKey is YHPWNQAUPWPOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-20(22-12-14-10-16-6-7-17(11-14)26-16)23-19-9-8-18(13-21-19)25-15-4-2-1-3-5-15/h1-5,8-9,13-14,16-17H,6-7,10-12H2,(H2,21,22,23,24).
What are the key properties of 1-(8-oxabicyclo[3.2.1]octan-3-ylmethyl)-3-(5-phenoxy-2-pyridinyl)urea?
1-(8-oxabicyclo[3.2.1]octan-3-ylmethyl)-3-(5-phenoxy-2-pyridinyl)urea has a molecular weight of 353.42 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-oxabicyclo[3.2.1]octan-3-ylmethyl)-3-(5-phenoxy-2-pyridinyl)urea is sourced from PubChem (CID 166331322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).