4-(4-fluorophenyl)-2-(1,3-oxazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one

C18H20FN3O2 — CID 71060387

IUPAC4-(4-fluorophenyl)-2-(1,3-oxazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(Cc2ncco2)CC(c2ccc(F)cc2)C12CCCNC2
InChIInChI=1S/C18H20FN3O2/c19-14-4-2-13(3-5-14)15-10-22(11-16-21-8-9-24-16)17(23)18(15)6-1-7-20-12-18/h2-5,8-9,15,20H,1,6-7,10-12H2
InChIKeyCBOQWDWQZJRSFH-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.31
Rot. Bonds3

About 4-(4-fluorophenyl)-2-(1,3-oxazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one

4-(4-fluorophenyl)-2-(1,3-oxazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 71060387) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-(1,3-oxazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-(1,3-oxazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID71060387
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name4-(4-fluorophenyl)-2-(1,3-oxazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(Cc2ncco2)CC(c2ccc(F)cc2)C12CCCNC2
InChIInChI=1S/C18H20FN3O2/c19-14-4-2-13(3-5-14)15-10-22(11-16-21-8-9-24-16)17(23)18(15)6-1-7-20-12-18/h2-5,8-9,15,20H,1,6-7,10-12H2
InChIKeyCBOQWDWQZJRSFH-UHFFFAOYSA-N
XLogP2.31
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-(1,3-oxazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 4-(4-fluorophenyl)-2-(1,3-oxazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one (CID 71060387) is 4-(4-fluorophenyl)-2-(1,3-oxazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 4-(4-fluorophenyl)-2-(1,3-oxazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 4-(4-fluorophenyl)-2-(1,3-oxazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one is O=C1N(Cc2ncco2)CC(c2ccc(F)cc2)C12CCCNC2.
What is the InChIKey of 4-(4-fluorophenyl)-2-(1,3-oxazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is CBOQWDWQZJRSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c19-14-4-2-13(3-5-14)15-10-22(11-16-21-8-9-24-16)17(23)18(15)6-1-7-20-12-18/h2-5,8-9,15,20H,1,6-7,10-12H2.
What are the key properties of 4-(4-fluorophenyl)-2-(1,3-oxazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?
4-(4-fluorophenyl)-2-(1,3-oxazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 329.38 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-(1,3-oxazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 71060387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).