7-[(2,3-difluorophenyl)methyl]-2-(4-methyl-1,3-oxazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C20H21F2N3O3 — CID 45199806

IUPAC7-[(2,3-difluorophenyl)methyl]-2-(4-methyl-1,3-oxazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1ncoc1C(=O)N1CCC2(CCCN(Cc3cccc(F)c3F)C2=O)C1
InChIInChI=1S/C20H21F2N3O3/c1-13-17(28-12-23-13)18(26)25-9-7-20(11-25)6-3-8-24(19(20)27)10-14-4-2-5-15(21)16(14)22/h2,4-5,12H,3,6-11H2,1H3
InChIKeyVBLADCQZYRDRJM-UHFFFAOYSA-N
MW389.40 g/mol
LogP2.92
Rot. Bonds3

About 7-[(2,3-difluorophenyl)methyl]-2-(4-methyl-1,3-oxazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

7-[(2,3-difluorophenyl)methyl]-2-(4-methyl-1,3-oxazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45199806) has the molecular formula C20H21F2N3O3 and a molecular weight of 389.40 g/mol. Its IUPAC name is 7-[(2,3-difluorophenyl)methyl]-2-(4-methyl-1,3-oxazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-[(2,3-difluorophenyl)methyl]-2-(4-methyl-1,3-oxazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45199806
Molecular FormulaC20H21F2N3O3
Molecular Weight389.40 g/mol
Exact Mass389.16
IUPAC Name7-[(2,3-difluorophenyl)methyl]-2-(4-methyl-1,3-oxazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1ncoc1C(=O)N1CCC2(CCCN(Cc3cccc(F)c3F)C2=O)C1
InChIInChI=1S/C20H21F2N3O3/c1-13-17(28-12-23-13)18(26)25-9-7-20(11-25)6-3-8-24(19(20)27)10-14-4-2-5-15(21)16(14)22/h2,4-5,12H,3,6-11H2,1H3
InChIKeyVBLADCQZYRDRJM-UHFFFAOYSA-N
XLogP2.92
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(2,3-difluorophenyl)methyl]-2-(4-methyl-1,3-oxazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-[(2,3-difluorophenyl)methyl]-2-(4-methyl-1,3-oxazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 45199806) is 7-[(2,3-difluorophenyl)methyl]-2-(4-methyl-1,3-oxazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-[(2,3-difluorophenyl)methyl]-2-(4-methyl-1,3-oxazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-[(2,3-difluorophenyl)methyl]-2-(4-methyl-1,3-oxazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is Cc1ncoc1C(=O)N1CCC2(CCCN(Cc3cccc(F)c3F)C2=O)C1.
What is the InChIKey of 7-[(2,3-difluorophenyl)methyl]-2-(4-methyl-1,3-oxazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is VBLADCQZYRDRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O3/c1-13-17(28-12-23-13)18(26)25-9-7-20(11-25)6-3-8-24(19(20)27)10-14-4-2-5-15(21)16(14)22/h2,4-5,12H,3,6-11H2,1H3.
What are the key properties of 7-[(2,3-difluorophenyl)methyl]-2-(4-methyl-1,3-oxazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
7-[(2,3-difluorophenyl)methyl]-2-(4-methyl-1,3-oxazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 389.40 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,3-difluorophenyl)methyl]-2-(4-methyl-1,3-oxazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45199806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).