7-(5-phenylmethoxy-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene

C19H20N2O2 — CID 171972999

IUPAC7-(5-phenylmethoxy-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene
SMILESC1=C(c2cncc(OCc3ccccc3)c2)CC2COCC1N2
InChIInChI=1S/C19H20N2O2/c1-2-4-14(5-3-1)11-23-19-8-16(9-20-10-19)15-6-17-12-22-13-18(7-15)21-17/h1-6,8-10,17-18,21H,7,11-13H2
InChIKeyFNPRQKMUBANIDL-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.80
Rot. Bonds4

About 7-(5-phenylmethoxy-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene

7-(5-phenylmethoxy-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene (PubChem CID 171972999) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 7-(5-phenylmethoxy-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene.

Molecular Properties

Compound Name7-(5-phenylmethoxy-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene
PubChem CID171972999
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name7-(5-phenylmethoxy-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene
SMILESC1=C(c2cncc(OCc3ccccc3)c2)CC2COCC1N2
InChIInChI=1S/C19H20N2O2/c1-2-4-14(5-3-1)11-23-19-8-16(9-20-10-19)15-6-17-12-22-13-18(7-15)21-17/h1-6,8-10,17-18,21H,7,11-13H2
InChIKeyFNPRQKMUBANIDL-UHFFFAOYSA-N
XLogP2.80
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(5-phenylmethoxy-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene 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

7-(2-fluoro-4-phenylmethoxyphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171971592
7-(5-phenylmethoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 71458997
8-benzyl-3-(5-phenylmethoxy-3-pyridinyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171967780
9-methyl-7-(4-phenylmethoxyphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171971626
3-ethyl-5-(5-phenylmethoxy-3-pyridinyl)-1,2-oxazole
CID 71514247
3-bromo-5-phenylmethoxypyridine
CID 15389198
5-phenylmethoxypyridin-3-amine
CID 22989735
3-(3-phenylmethoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene
CID 171973332
7-(4-methoxynaphthalen-1-yl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171974415
3-[1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-5-phenylmethoxypyridine
CID 175712884
[3-(3-phenylmethoxyphenyl)cyclobut-2-en-1-yl]methanol
CID 102520214
(6R)-3-(5-phenylmethoxy-3-pyridinyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxylic acid
CID 174230404

Frequently Asked Questions

What is the IUPAC name of 7-(5-phenylmethoxy-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene?
The IUPAC name of 7-(5-phenylmethoxy-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene (CID 171972999) is 7-(5-phenylmethoxy-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene.
What is the SMILES notation for 7-(5-phenylmethoxy-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene?
The canonical SMILES for 7-(5-phenylmethoxy-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene is C1=C(c2cncc(OCc3ccccc3)c2)CC2COCC1N2.
What is the InChIKey of 7-(5-phenylmethoxy-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene?
The InChIKey is FNPRQKMUBANIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-2-4-14(5-3-1)11-23-19-8-16(9-20-10-19)15-6-17-12-22-13-18(7-15)21-17/h1-6,8-10,17-18,21H,7,11-13H2.
What are the key properties of 7-(5-phenylmethoxy-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene?
7-(5-phenylmethoxy-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene has a molecular weight of 308.38 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-phenylmethoxy-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene is sourced from PubChem (CID 171972999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).