(3R,5S,8S,8aR)-3-phenyl-8-phenylmethoxy-5-propyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine

C23H29NO2 — CID 11089463

IUPAC(3R,5S,8S,8aR)-3-phenyl-8-phenylmethoxy-5-propyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
SMILESCCC[C@H]1CC[C@H](OCc2ccccc2)[C@H]2OC[C@@H](c3ccccc3)N12
InChIInChI=1S/C23H29NO2/c1-2-9-20-14-15-22(25-16-18-10-5-3-6-11-18)23-24(20)21(17-26-23)19-12-7-4-8-13-19/h3-8,10-13,20-23H,2,9,14-17H2,1H3/t20-,21-,22-,23+/m0/s1
InChIKeyWQLCEHWAGYEGIQ-CWBXHPNXSA-N
MW351.49 g/mol
LogP4.93
Rot. Bonds6

About (3R,5S,8S,8aR)-3-phenyl-8-phenylmethoxy-5-propyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine

(3R,5S,8S,8aR)-3-phenyl-8-phenylmethoxy-5-propyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine (PubChem CID 11089463) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is (3R,5S,8S,8aR)-3-phenyl-8-phenylmethoxy-5-propyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine.

Molecular Properties

Compound Name(3R,5S,8S,8aR)-3-phenyl-8-phenylmethoxy-5-propyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
PubChem CID11089463
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name(3R,5S,8S,8aR)-3-phenyl-8-phenylmethoxy-5-propyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
SMILESCCC[C@H]1CC[C@H](OCc2ccccc2)[C@H]2OC[C@@H](c3ccccc3)N12
InChIInChI=1S/C23H29NO2/c1-2-9-20-14-15-22(25-16-18-10-5-3-6-11-18)23-24(20)21(17-26-23)19-12-7-4-8-13-19/h3-8,10-13,20-23H,2,9,14-17H2,1H3/t20-,21-,22-,23+/m0/s1
InChIKeyWQLCEHWAGYEGIQ-CWBXHPNXSA-N
XLogP4.93
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R,5S,8S,8aR)-3-phenyl-8-phenylmethoxy-5-propyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine with MolForge

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Related Compounds

(3R,5R,6S,7R,8S,8aR)-3-phenyl-6,7,8-tris(phenylmethoxy)-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine-5-carbonitrile
CID 11497621
(3R,5S,8aR)-5-pentyl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
CID 10636009
3-phenyl-5-(2-phenylethyl)-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
CID 4304756
(2-methylcyclobutyl)oxymethylbenzene
CID 163589446
(3R,4R)-3-iodo-4-phenylmethoxyoxolane
CID 165354577
(4-propylcyclohexyl)oxymethylbenzene
CID 147199890
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
(2S,4R,5R)-2,4-diethyl-5-phenylmethoxy-1,3-dioxane
CID 70592950
cis-(1S,2R)-2-phenylmethoxycyclobutan-1-amine
CID 10512782
(2R,3aR)-4-methyl-2-phenyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
CID 134582152
[(2S,3R,6R)-6-dodecyl-3-phenylmethoxypiperidin-2-yl]methanol
CID 11165190
(1R,2S,3S)-2-methoxy-3-phenylmethoxycyclopentan-1-ol
CID 139810577

Frequently Asked Questions

What is the IUPAC name of (3R,5S,8S,8aR)-3-phenyl-8-phenylmethoxy-5-propyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine?
The IUPAC name of (3R,5S,8S,8aR)-3-phenyl-8-phenylmethoxy-5-propyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine (CID 11089463) is (3R,5S,8S,8aR)-3-phenyl-8-phenylmethoxy-5-propyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine.
What is the SMILES notation for (3R,5S,8S,8aR)-3-phenyl-8-phenylmethoxy-5-propyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine?
The canonical SMILES for (3R,5S,8S,8aR)-3-phenyl-8-phenylmethoxy-5-propyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine is CCC[C@H]1CC[C@H](OCc2ccccc2)[C@H]2OC[C@@H](c3ccccc3)N12.
What is the InChIKey of (3R,5S,8S,8aR)-3-phenyl-8-phenylmethoxy-5-propyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine?
The InChIKey is WQLCEHWAGYEGIQ-CWBXHPNXSA-N. The full InChI is InChI=1S/C23H29NO2/c1-2-9-20-14-15-22(25-16-18-10-5-3-6-11-18)23-24(20)21(17-26-23)19-12-7-4-8-13-19/h3-8,10-13,20-23H,2,9,14-17H2,1H3/t20-,21-,22-,23+/m0/s1.
What are the key properties of (3R,5S,8S,8aR)-3-phenyl-8-phenylmethoxy-5-propyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine?
(3R,5S,8S,8aR)-3-phenyl-8-phenylmethoxy-5-propyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine has a molecular weight of 351.49 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S,8S,8aR)-3-phenyl-8-phenylmethoxy-5-propyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine is sourced from PubChem (CID 11089463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).