[8-(6-fluoro-2-pyridinyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone

C23H23FN4O3 — CID 2767058

IUPAC[8-(6-fluoro-2-pyridinyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
SMILESCc1onc(-c2ccccc2)c1C(=O)N1CCOC12CCN(c1cccc(F)n1)CC2
InChIInChI=1S/C23H23FN4O3/c1-16-20(21(26-31-16)17-6-3-2-4-7-17)22(29)28-14-15-30-23(28)10-12-27(13-11-23)19-9-5-8-18(24)25-19/h2-9H,10-15H2,1H3
InChIKeyRBFHXRKLRWRDMX-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.65
Rot. Bonds3

About [8-(6-fluoro-2-pyridinyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone

[8-(6-fluoro-2-pyridinyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone (PubChem CID 2767058) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is [8-(6-fluoro-2-pyridinyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[8-(6-fluoro-2-pyridinyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
PubChem CID2767058
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC Name[8-(6-fluoro-2-pyridinyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
SMILESCc1onc(-c2ccccc2)c1C(=O)N1CCOC12CCN(c1cccc(F)n1)CC2
InChIInChI=1S/C23H23FN4O3/c1-16-20(21(26-31-16)17-6-3-2-4-7-17)22(29)28-14-15-30-23(28)10-12-27(13-11-23)19-9-5-8-18(24)25-19/h2-9H,10-15H2,1H3
InChIKeyRBFHXRKLRWRDMX-UHFFFAOYSA-N
XLogP3.65
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [8-(6-fluoro-2-pyridinyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [8-(6-fluoro-2-pyridinyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone (CID 2767058) is [8-(6-fluoro-2-pyridinyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [8-(6-fluoro-2-pyridinyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [8-(6-fluoro-2-pyridinyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone is Cc1onc(-c2ccccc2)c1C(=O)N1CCOC12CCN(c1cccc(F)n1)CC2.
What is the InChIKey of [8-(6-fluoro-2-pyridinyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The InChIKey is RBFHXRKLRWRDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3/c1-16-20(21(26-31-16)17-6-3-2-4-7-17)22(29)28-14-15-30-23(28)10-12-27(13-11-23)19-9-5-8-18(24)25-19/h2-9H,10-15H2,1H3.
What are the key properties of [8-(6-fluoro-2-pyridinyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
[8-(6-fluoro-2-pyridinyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone has a molecular weight of 422.46 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(6-fluoro-2-pyridinyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 2767058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).