(5S,6S)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-phenylmethoxy-1-oxa-9-azaspiro[4.5]decane

C20H26N2O3 — CID 110159273

IUPAC(5S,6S)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-phenylmethoxy-1-oxa-9-azaspiro[4.5]decane
SMILESCc1cc(CN2CC[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)no1
InChIInChI=1S/C20H26N2O3/c1-16-12-18(21-25-16)13-22-10-8-19(20(15-22)9-5-11-24-20)23-14-17-6-3-2-4-7-17/h2-4,6-7,12,19H,5,8-11,13-15H2,1H3/t19-,20-/m0/s1
InChIKeyNQXHZDFDWGOYDP-PMACEKPBSA-N
MW342.44 g/mol
LogP3.32
Rot. Bonds5

About (5S,6S)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-phenylmethoxy-1-oxa-9-azaspiro[4.5]decane

(5S,6S)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-phenylmethoxy-1-oxa-9-azaspiro[4.5]decane (PubChem CID 110159273) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is (5S,6S)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-phenylmethoxy-1-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name(5S,6S)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-phenylmethoxy-1-oxa-9-azaspiro[4.5]decane
PubChem CID110159273
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name(5S,6S)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-phenylmethoxy-1-oxa-9-azaspiro[4.5]decane
SMILESCc1cc(CN2CC[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)no1
InChIInChI=1S/C20H26N2O3/c1-16-12-18(21-25-16)13-22-10-8-19(20(15-22)9-5-11-24-20)23-14-17-6-3-2-4-7-17/h2-4,6-7,12,19H,5,8-11,13-15H2,1H3/t19-,20-/m0/s1
InChIKeyNQXHZDFDWGOYDP-PMACEKPBSA-N
XLogP3.32
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5S,6S)-9-[(3-fluoro-2-pyridinyl)methyl]-6-phenylmethoxy-1-oxa-9-azaspiro[4.5]decane
CID 110159382
(5S,9S)-7-(1H-imidazol-2-ylmethyl)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonane
CID 110155638
6-[(5-methyl-1,2-oxazol-3-yl)methyl]-4a-(pyridin-4-ylmethoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 131647813
(5S,6S)-8-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol
CID 110155818
2-[(5-methyl-1,2-oxazol-3-yl)methyl]-8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 131662173
(5R,9R)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonane
CID 110160739
N-(2-methoxy-5-methylphenyl)-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide
CID 110167123
2-(6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 110167206
3-[[(3R,4S)-3-benzyl-4-methoxypiperidin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 124797918
6-[(5-methyl-1,2-oxazol-3-yl)methyl]-4a-(pyridin-2-yloxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155835081
6-[(5-methyl-1,2-oxazol-3-yl)methyl]-4a-(pyridin-2-yloxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid
CID 171694354
3-[[(3S,4S)-3-benzyl-4-(cyclopropylmethoxy)piperidin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 97475241

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-phenylmethoxy-1-oxa-9-azaspiro[4.5]decane?
The IUPAC name of (5S,6S)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-phenylmethoxy-1-oxa-9-azaspiro[4.5]decane (CID 110159273) is (5S,6S)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-phenylmethoxy-1-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for (5S,6S)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-phenylmethoxy-1-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for (5S,6S)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-phenylmethoxy-1-oxa-9-azaspiro[4.5]decane is Cc1cc(CN2CC[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)no1.
What is the InChIKey of (5S,6S)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-phenylmethoxy-1-oxa-9-azaspiro[4.5]decane?
The InChIKey is NQXHZDFDWGOYDP-PMACEKPBSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-16-12-18(21-25-16)13-22-10-8-19(20(15-22)9-5-11-24-20)23-14-17-6-3-2-4-7-17/h2-4,6-7,12,19H,5,8-11,13-15H2,1H3/t19-,20-/m0/s1.
What are the key properties of (5S,6S)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-phenylmethoxy-1-oxa-9-azaspiro[4.5]decane?
(5S,6S)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-phenylmethoxy-1-oxa-9-azaspiro[4.5]decane has a molecular weight of 342.44 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-phenylmethoxy-1-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 110159273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).