5-[2-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]phenyl]-1,2-oxazole

C19H24N2O2 — CID 56910622

IUPAC5-[2-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]phenyl]-1,2-oxazole
SMILESc1ccc(-c2ccno2)c(OC[C@@H]2CCCN3CCCC[C@H]23)c1
InChIInChI=1S/C19H24N2O2/c1-2-9-18(16(7-1)19-10-11-20-23-19)22-14-15-6-5-13-21-12-4-3-8-17(15)21/h1-2,7,9-11,15,17H,3-6,8,12-14H2/t15-,17+/m0/s1
InChIKeyKCXONRVLTOIZAX-DOTOQJQBSA-N
MW312.41 g/mol
LogP3.98
Rot. Bonds4

About 5-[2-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]phenyl]-1,2-oxazole

5-[2-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]phenyl]-1,2-oxazole (PubChem CID 56910622) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 5-[2-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]phenyl]-1,2-oxazole.

Molecular Properties

Compound Name5-[2-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]phenyl]-1,2-oxazole
PubChem CID56910622
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name5-[2-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]phenyl]-1,2-oxazole
SMILESc1ccc(-c2ccno2)c(OC[C@@H]2CCCN3CCCC[C@H]23)c1
InChIInChI=1S/C19H24N2O2/c1-2-9-18(16(7-1)19-10-11-20-23-19)22-14-15-6-5-13-21-12-4-3-8-17(15)21/h1-2,7,9-11,15,17H,3-6,8,12-14H2/t15-,17+/m0/s1
InChIKeyKCXONRVLTOIZAX-DOTOQJQBSA-N
XLogP3.98
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[2-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]phenyl]-1,2-oxazole with MolForge

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Launch Full Analysis

Related Compounds

5-(2-Butoxy-phenyl)-isoxazole
CID 11183547
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-(1,2-oxazol-5-yl)phenoxy]propan-2-ol
CID 90335221
[2-({1-[(3,5-Dimethyl-4-isoxazolyl)methyl]-3-piperidyl}methoxy)phenyl](4-methylpiperidino)methanone
CID 91913465
(2S)-4-methyl-1-[2-(1,2-oxazol-5-yl)phenoxy]pentan-2-amine
CID 134158165
1-(4-Fluorophenyl)-4-[3-[[2-(1,2-oxazol-5-yl)phenoxy]methyl]piperidin-1-yl]butan-1-one
CID 10224056
4-[(1S,2S)-1-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]morpholine
CID 58393844
4-[1-[4-Fluoro-2-(1,2-oxazol-5-yl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]morpholine
CID 67340153
1-(4-Fluorophenyl)-4-[3-[[2-(1,2-oxazol-5-yl)phenoxy]methyl]piperidin-1-yl]butan-2-one
CID 69840587
4-(4-Fluorophenyl)-4-[3-[[2-(1,2-oxazol-5-yl)phenoxy]methyl]piperidin-1-yl]butan-2-one
CID 69840590
8-fluoro-4-methyl-4H-chromeno[3,4-d][1,2]oxazole
CID 70356219
5-(2-Prop-2-ynoxyphenyl)-1,2-oxazole
CID 139221429
N,N-diethyl-2-[2-(3-methyl-1,2-oxazol-5-yl)phenoxy]ethanamine
CID 40905

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]phenyl]-1,2-oxazole?
The IUPAC name of 5-[2-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]phenyl]-1,2-oxazole (CID 56910622) is 5-[2-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]phenyl]-1,2-oxazole.
What is the SMILES notation for 5-[2-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]phenyl]-1,2-oxazole?
The canonical SMILES for 5-[2-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]phenyl]-1,2-oxazole is c1ccc(-c2ccno2)c(OC[C@@H]2CCCN3CCCC[C@H]23)c1.
What is the InChIKey of 5-[2-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]phenyl]-1,2-oxazole?
The InChIKey is KCXONRVLTOIZAX-DOTOQJQBSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-2-9-18(16(7-1)19-10-11-20-23-19)22-14-15-6-5-13-21-12-4-3-8-17(15)21/h1-2,7,9-11,15,17H,3-6,8,12-14H2/t15-,17+/m0/s1.
What are the key properties of 5-[2-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]phenyl]-1,2-oxazole?
5-[2-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]phenyl]-1,2-oxazole has a molecular weight of 312.41 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]phenyl]-1,2-oxazole is sourced from PubChem (CID 56910622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).