1,2-oxazol-5-yl-[(3S,5R)-3-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone

C18H20N2O4 — CID 97394312

IUPAC1,2-oxazol-5-yl-[(3S,5R)-3-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
SMILESO=C(c1ccno1)N1CC[C@@]2(C[C@H](OCc3ccccc3)CO2)C1
InChIInChI=1S/C18H20N2O4/c21-17(16-6-8-19-24-16)20-9-7-18(13-20)10-15(12-23-18)22-11-14-4-2-1-3-5-14/h1-6,8,15H,7,9-13H2/t15-,18+/m0/s1
InChIKeyIJCLFKZROBZPJS-MAUKXSAKSA-N
MW328.37 g/mol
LogP2.27
Rot. Bonds4

About 1,2-oxazol-5-yl-[(3S,5R)-3-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone

1,2-oxazol-5-yl-[(3S,5R)-3-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone (PubChem CID 97394312) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1,2-oxazol-5-yl-[(3S,5R)-3-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone.

Molecular Properties

Compound Name1,2-oxazol-5-yl-[(3S,5R)-3-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
PubChem CID97394312
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name1,2-oxazol-5-yl-[(3S,5R)-3-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
SMILESO=C(c1ccno1)N1CC[C@@]2(C[C@H](OCc3ccccc3)CO2)C1
InChIInChI=1S/C18H20N2O4/c21-17(16-6-8-19-24-16)20-9-7-18(13-20)10-15(12-23-18)22-11-14-4-2-1-3-5-14/h1-6,8,15H,7,9-13H2/t15-,18+/m0/s1
InChIKeyIJCLFKZROBZPJS-MAUKXSAKSA-N
XLogP2.27
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2-oxazol-5-yl-[(3S,5R)-3-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
The IUPAC name of 1,2-oxazol-5-yl-[(3S,5R)-3-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone (CID 97394312) is 1,2-oxazol-5-yl-[(3S,5R)-3-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone.
What is the SMILES notation for 1,2-oxazol-5-yl-[(3S,5R)-3-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
The canonical SMILES for 1,2-oxazol-5-yl-[(3S,5R)-3-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone is O=C(c1ccno1)N1CC[C@@]2(C[C@H](OCc3ccccc3)CO2)C1.
What is the InChIKey of 1,2-oxazol-5-yl-[(3S,5R)-3-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
The InChIKey is IJCLFKZROBZPJS-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-17(16-6-8-19-24-16)20-9-7-18(13-20)10-15(12-23-18)22-11-14-4-2-1-3-5-14/h1-6,8,15H,7,9-13H2/t15-,18+/m0/s1.
What are the key properties of 1,2-oxazol-5-yl-[(3S,5R)-3-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
1,2-oxazol-5-yl-[(3S,5R)-3-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone has a molecular weight of 328.37 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazol-5-yl-[(3S,5R)-3-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone is sourced from PubChem (CID 97394312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).