(2-fluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone

C24H24FN3O3 — CID 91924708

IUPAC(2-fluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
SMILESCc1ccc(-c2nnc(C3CN(C(=O)c4ccccc4F)CC34CCOCC4)o2)cc1
InChIInChI=1S/C24H24FN3O3/c1-16-6-8-17(9-7-16)21-26-27-22(31-21)19-14-28(15-24(19)10-12-30-13-11-24)23(29)18-4-2-3-5-20(18)25/h2-9,19H,10-15H2,1H3
InChIKeyPYXPGQIATWYLRC-UHFFFAOYSA-N
MW421.47 g/mol
LogP4.22
Rot. Bonds3

About (2-fluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone

(2-fluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone (PubChem CID 91924708) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
PubChem CID91924708
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC Name(2-fluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
SMILESCc1ccc(-c2nnc(C3CN(C(=O)c4ccccc4F)CC34CCOCC4)o2)cc1
InChIInChI=1S/C24H24FN3O3/c1-16-6-8-17(9-7-16)21-26-27-22(31-21)19-14-28(15-24(19)10-12-30-13-11-24)23(29)18-4-2-3-5-20(18)25/h2-9,19H,10-15H2,1H3
InChIKeyPYXPGQIATWYLRC-UHFFFAOYSA-N
XLogP4.22
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone (CID 91924708) is (2-fluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone is Cc1ccc(-c2nnc(C3CN(C(=O)c4ccccc4F)CC34CCOCC4)o2)cc1.
What is the InChIKey of (2-fluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The InChIKey is PYXPGQIATWYLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c1-16-6-8-17(9-7-16)21-26-27-22(31-21)19-14-28(15-24(19)10-12-30-13-11-24)23(29)18-4-2-3-5-20(18)25/h2-9,19H,10-15H2,1H3.
What are the key properties of (2-fluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
(2-fluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone has a molecular weight of 421.47 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 91924708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).