[9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone

C20H23F2N3O2 — CID 45181718

IUPAC[9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1ncoc1C(=O)N1CCC2(CCCN(Cc3cccc(F)c3F)C2)C1
InChIInChI=1S/C20H23F2N3O2/c1-14-18(27-13-23-14)19(26)25-9-7-20(12-25)6-3-8-24(11-20)10-15-4-2-5-16(21)17(15)22/h2,4-5,13H,3,6-12H2,1H3
InChIKeyLBJNWXBGZQDHFL-UHFFFAOYSA-N
MW375.42 g/mol
LogP3.39
Rot. Bonds3

About [9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone

[9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (PubChem CID 45181718) has the molecular formula C20H23F2N3O2 and a molecular weight of 375.42 g/mol. Its IUPAC name is [9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
PubChem CID45181718
Molecular FormulaC20H23F2N3O2
Molecular Weight375.42 g/mol
Exact Mass375.18
IUPAC Name[9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1ncoc1C(=O)N1CCC2(CCCN(Cc3cccc(F)c3F)C2)C1
InChIInChI=1S/C20H23F2N3O2/c1-14-18(27-13-23-14)19(26)25-9-7-20(12-25)6-3-8-24(11-20)10-15-4-2-5-16(21)17(15)22/h2,4-5,13H,3,6-12H2,1H3
InChIKeyLBJNWXBGZQDHFL-UHFFFAOYSA-N
XLogP3.39
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (CID 45181718) is [9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is Cc1ncoc1C(=O)N1CCC2(CCCN(Cc3cccc(F)c3F)C2)C1.
What is the InChIKey of [9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The InChIKey is LBJNWXBGZQDHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O2/c1-14-18(27-13-23-14)19(26)25-9-7-20(12-25)6-3-8-24(11-20)10-15-4-2-5-16(21)17(15)22/h2,4-5,13H,3,6-12H2,1H3.
What are the key properties of [9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
[9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone has a molecular weight of 375.42 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 45181718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).