3-[(3,4-difluorophenyl)methyl]-8-(5-methyl-2-phenyltriazole-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C24H23F2N5O3 — CID 66901580

IUPAC3-[(3,4-difluorophenyl)methyl]-8-(5-methyl-2-phenyltriazole-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1nn(-c2ccccc2)nc1C(=O)N1CCC2(CC1)CN(Cc1ccc(F)c(F)c1)C(=O)O2
InChIInChI=1S/C24H23F2N5O3/c1-16-21(28-31(27-16)18-5-3-2-4-6-18)22(32)29-11-9-24(10-12-29)15-30(23(33)34-24)14-17-7-8-19(25)20(26)13-17/h2-8,13H,9-12,14-15H2,1H3
InChIKeyHWAGIOHDYWSEKG-UHFFFAOYSA-N
MW467.48 g/mol
LogP3.48
Rot. Bonds4

About 3-[(3,4-difluorophenyl)methyl]-8-(5-methyl-2-phenyltriazole-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-[(3,4-difluorophenyl)methyl]-8-(5-methyl-2-phenyltriazole-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 66901580) has the molecular formula C24H23F2N5O3 and a molecular weight of 467.48 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)methyl]-8-(5-methyl-2-phenyltriazole-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)methyl]-8-(5-methyl-2-phenyltriazole-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID66901580
Molecular FormulaC24H23F2N5O3
Molecular Weight467.48 g/mol
Exact Mass467.18
IUPAC Name3-[(3,4-difluorophenyl)methyl]-8-(5-methyl-2-phenyltriazole-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1nn(-c2ccccc2)nc1C(=O)N1CCC2(CC1)CN(Cc1ccc(F)c(F)c1)C(=O)O2
InChIInChI=1S/C24H23F2N5O3/c1-16-21(28-31(27-16)18-5-3-2-4-6-18)22(32)29-11-9-24(10-12-29)15-30(23(33)34-24)14-17-7-8-19(25)20(26)13-17/h2-8,13H,9-12,14-15H2,1H3
InChIKeyHWAGIOHDYWSEKG-UHFFFAOYSA-N
XLogP3.48
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.48
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[(3,4-difluorophenyl)methyl]-8-(5-methyl-2-phenyltriazole-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)methyl]-8-(5-methyl-2-phenyltriazole-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[(3,4-difluorophenyl)methyl]-8-(5-methyl-2-phenyltriazole-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 66901580) is 3-[(3,4-difluorophenyl)methyl]-8-(5-methyl-2-phenyltriazole-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[(3,4-difluorophenyl)methyl]-8-(5-methyl-2-phenyltriazole-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[(3,4-difluorophenyl)methyl]-8-(5-methyl-2-phenyltriazole-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is Cc1nn(-c2ccccc2)nc1C(=O)N1CCC2(CC1)CN(Cc1ccc(F)c(F)c1)C(=O)O2.
What is the InChIKey of 3-[(3,4-difluorophenyl)methyl]-8-(5-methyl-2-phenyltriazole-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is HWAGIOHDYWSEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O3/c1-16-21(28-31(27-16)18-5-3-2-4-6-18)22(32)29-11-9-24(10-12-29)15-30(23(33)34-24)14-17-7-8-19(25)20(26)13-17/h2-8,13H,9-12,14-15H2,1H3.
What are the key properties of 3-[(3,4-difluorophenyl)methyl]-8-(5-methyl-2-phenyltriazole-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[(3,4-difluorophenyl)methyl]-8-(5-methyl-2-phenyltriazole-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 467.48 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)methyl]-8-(5-methyl-2-phenyltriazole-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 66901580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).