(2-cyclopropyloxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone

C16H19NO3 — CID 136542777

IUPAC(2-cyclopropyloxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESO=C(c1ccccc1OC1CC1)N1CC2CCC(C1)O2
InChIInChI=1S/C16H19NO3/c18-16(17-9-12-7-8-13(10-17)19-12)14-3-1-2-4-15(14)20-11-5-6-11/h1-4,11-13H,5-10H2
InChIKeyOASVBTMWRCSPRI-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.23
Rot. Bonds3

About (2-cyclopropyloxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone

(2-cyclopropyloxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 136542777) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is (2-cyclopropyloxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name(2-cyclopropyloxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID136542777
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name(2-cyclopropyloxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESO=C(c1ccccc1OC1CC1)N1CC2CCC(C1)O2
InChIInChI=1S/C16H19NO3/c18-16(17-9-12-7-8-13(10-17)19-12)14-3-1-2-4-15(14)20-11-5-6-11/h1-4,11-13H,5-10H2
InChIKeyOASVBTMWRCSPRI-UHFFFAOYSA-N
XLogP2.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-iodophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66371651
[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-cyclobutyloxyphenyl)methanone;hydrochloride
CID 154578382
[2-(2-aminoethyl)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66371214
(3-bromo-2-methylphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66371650
(3-bromo-2-fluorophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 106548067
[2-[1-(cyclopentylmethyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 26405720
1-[4-(2-cyclobutyloxybenzoyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 75372240
(3-ethoxyazetidin-1-yl)-(2-methoxyphenyl)methanone
CID 123539708
(2-amino-4,5-dimethoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66392049
(7-benzoyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-phenylmethanone
CID 22336071
[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl] acetate
CID 669506
(2-cyclohexyloxyphenyl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 125147466

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyloxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of (2-cyclopropyloxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone (CID 136542777) is (2-cyclopropyloxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for (2-cyclopropyloxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for (2-cyclopropyloxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone is O=C(c1ccccc1OC1CC1)N1CC2CCC(C1)O2.
What is the InChIKey of (2-cyclopropyloxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is OASVBTMWRCSPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c18-16(17-9-12-7-8-13(10-17)19-12)14-3-1-2-4-15(14)20-11-5-6-11/h1-4,11-13H,5-10H2.
What are the key properties of (2-cyclopropyloxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
(2-cyclopropyloxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 273.33 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyloxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 136542777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).