[(3S,5R,9R)-9-hydroxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methyl-1,3-oxazol-5-yl)methanone

C18H20N2O4 — CID 155996752

IUPAC[(3S,5R,9R)-9-hydroxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1ncoc1C(=O)N1C[C@@H](O)[C@@]2(C[C@@H](c3ccccc3)CO2)C1
InChIInChI=1S/C18H20N2O4/c1-12-16(23-11-19-12)17(22)20-8-15(21)18(10-20)7-14(9-24-18)13-5-3-2-4-6-13/h2-6,11,14-15,21H,7-10H2,1H3/t14-,15-,18-/m1/s1
InChIKeyKPZOFJKADASIGQ-IIDMSEBBSA-N
MW328.37 g/mol
LogP1.74
Rot. Bonds2

About [(3S,5R,9R)-9-hydroxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methyl-1,3-oxazol-5-yl)methanone

[(3S,5R,9R)-9-hydroxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (PubChem CID 155996752) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is [(3S,5R,9R)-9-hydroxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(3S,5R,9R)-9-hydroxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
PubChem CID155996752
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name[(3S,5R,9R)-9-hydroxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1ncoc1C(=O)N1C[C@@H](O)[C@@]2(C[C@@H](c3ccccc3)CO2)C1
InChIInChI=1S/C18H20N2O4/c1-12-16(23-11-19-12)17(22)20-8-15(21)18(10-20)7-14(9-24-18)13-5-3-2-4-6-13/h2-6,11,14-15,21H,7-10H2,1H3/t14-,15-,18-/m1/s1
InChIKeyKPZOFJKADASIGQ-IIDMSEBBSA-N
XLogP1.74
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3S,5R,9R)-9-hydroxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methyl-1,3-oxazol-5-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3S,5R,9R)-9-hydroxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 155996778
[(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 125006667
2-amino-1-[(3S,5R,9R)-9-hydroxy-3-(3-methoxyphenyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
CID 155996790
[(3S,5R,9R)-9-methoxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone
CID 155996789
(4-methyl-1,3-oxazol-5-yl)-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97419782
(3-chloro-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone
CID 131007255
1-[(3R,5R,9R)-3-(3-fluorophenyl)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3-(furan-2-yl)propan-1-one
CID 155996721
[(3R,5R,9R)-3-(3-fluorophenyl)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,3-oxazol-4-yl)methanone
CID 155996736
(4-methyl-1,3-oxazol-5-yl)-[(7R)-7-[(pyrimidin-2-ylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124809714
(4-methyl-1,3-oxazol-5-yl)-[(3R,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;2,2,2-trifluoroacetic acid
CID 155833164
N-[(3R,4R)-3-hydroxy-1-(4-methyl-1,3-oxazole-5-carbonyl)-4-phenylpiperidin-4-yl]thiophene-3-carboxamide
CID 171915400
(4-methyl-1,3-oxazol-5-yl)-[8-[2-[(6-methyl-2-pyridinyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131657002

Frequently Asked Questions

What is the IUPAC name of [(3S,5R,9R)-9-hydroxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [(3S,5R,9R)-9-hydroxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (CID 155996752) is [(3S,5R,9R)-9-hydroxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [(3S,5R,9R)-9-hydroxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [(3S,5R,9R)-9-hydroxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is Cc1ncoc1C(=O)N1C[C@@H](O)[C@@]2(C[C@@H](c3ccccc3)CO2)C1.
What is the InChIKey of [(3S,5R,9R)-9-hydroxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The InChIKey is KPZOFJKADASIGQ-IIDMSEBBSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-12-16(23-11-19-12)17(22)20-8-15(21)18(10-20)7-14(9-24-18)13-5-3-2-4-6-13/h2-6,11,14-15,21H,7-10H2,1H3/t14-,15-,18-/m1/s1.
What are the key properties of [(3S,5R,9R)-9-hydroxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
[(3S,5R,9R)-9-hydroxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methyl-1,3-oxazol-5-yl)methanone has a molecular weight of 328.37 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5R,9R)-9-hydroxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 155996752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).