2-[6-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-(3-chloro-5-fluorophenyl)acetamide

C21H26ClFN4O2 — CID 169215260

IUPAC2-[6-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-(3-chloro-5-fluorophenyl)acetamide
SMILESCC(C)(C)c1nc(CN2CC3(CN(CC(=O)Nc4cc(F)cc(Cl)c4)C3)C2)co1
InChIInChI=1S/C21H26ClFN4O2/c1-20(2,3)19-25-17(9-29-19)7-26-10-21(11-26)12-27(13-21)8-18(28)24-16-5-14(22)4-15(23)6-16/h4-6,9H,7-8,10-13H2,1-3H3,(H,24,28)
InChIKeyVOHSNSFZNQWTJB-UHFFFAOYSA-N
MW420.92 g/mol
LogP3.52
Rot. Bonds5

About 2-[6-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-(3-chloro-5-fluorophenyl)acetamide

2-[6-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-(3-chloro-5-fluorophenyl)acetamide (PubChem CID 169215260) has the molecular formula C21H26ClFN4O2 and a molecular weight of 420.92 g/mol. Its IUPAC name is 2-[6-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-(3-chloro-5-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[6-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-(3-chloro-5-fluorophenyl)acetamide
PubChem CID169215260
Molecular FormulaC21H26ClFN4O2
Molecular Weight420.92 g/mol
Exact Mass420.17
IUPAC Name2-[6-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-(3-chloro-5-fluorophenyl)acetamide
SMILESCC(C)(C)c1nc(CN2CC3(CN(CC(=O)Nc4cc(F)cc(Cl)c4)C3)C2)co1
InChIInChI=1S/C21H26ClFN4O2/c1-20(2,3)19-25-17(9-29-19)7-26-10-21(11-26)12-27(13-21)8-18(28)24-16-5-14(22)4-15(23)6-16/h4-6,9H,7-8,10-13H2,1-3H3,(H,24,28)
InChIKeyVOHSNSFZNQWTJB-UHFFFAOYSA-N
XLogP3.52
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.92
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[6-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-(3-chloro-5-fluorophenyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-chloro-5-fluorophenyl)-2-[6-[(2-methyl-1,3-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]acetamide
CID 169215280
N-(3-chloro-5-fluorophenyl)-2-[2-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-2,6-diazaspiro[3.3]heptan-6-yl]acetamide
CID 169215233
N-(3-chloro-5-fluorophenyl)-2-[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 170274581
N-(3-chloro-5-fluorophenyl)-2-[2-(cyclopentylamino)-2-oxoethyl]-2-azaspiro[3.3]heptane-6-carboxamide;ethane
CID 169216766
2-[(1S,4S)-5-[2-(tert-butylamino)-2-oxoethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-(3-chloro-5-fluorophenyl)acetamide
CID 170266925
N-(3-chloro-5-fluorophenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 107365899
N-(3-chloro-5-fluorophenyl)-2-[(4-chlorophenyl)methyl]-2-azaspiro[3.3]heptane-6-carboxamide;ethane
CID 169216805
N-(3-chloro-5-fluorophenyl)-2-[(4-chlorophenyl)methyl]-2-azaspiro[3.3]heptane-6-carboxamide
CID 169216806
2-(4-aminopyrazol-1-yl)-N-(3-chloro-5-fluorophenyl)acetamide
CID 107363404
N-(3,5-dichlorophenyl)-2-morpholin-4-ylacetamide
CID 717337
2-[2-(3-chloro-5-fluoroanilino)-2-oxoethyl]sulfanylacetic acid
CID 107363768
2-[6-[2-(tert-butylamino)-2-oxoethyl]-6-azabicyclo[3.1.1]heptan-3-yl]-N-(3-chloro-5-fluorophenyl)acetamide
CID 169216011

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-(3-chloro-5-fluorophenyl)acetamide?
The IUPAC name of 2-[6-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-(3-chloro-5-fluorophenyl)acetamide (CID 169215260) is 2-[6-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-(3-chloro-5-fluorophenyl)acetamide.
What is the SMILES notation for 2-[6-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-(3-chloro-5-fluorophenyl)acetamide?
The canonical SMILES for 2-[6-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-(3-chloro-5-fluorophenyl)acetamide is CC(C)(C)c1nc(CN2CC3(CN(CC(=O)Nc4cc(F)cc(Cl)c4)C3)C2)co1.
What is the InChIKey of 2-[6-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-(3-chloro-5-fluorophenyl)acetamide?
The InChIKey is VOHSNSFZNQWTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClFN4O2/c1-20(2,3)19-25-17(9-29-19)7-26-10-21(11-26)12-27(13-21)8-18(28)24-16-5-14(22)4-15(23)6-16/h4-6,9H,7-8,10-13H2,1-3H3,(H,24,28).
What are the key properties of 2-[6-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-(3-chloro-5-fluorophenyl)acetamide?
2-[6-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-(3-chloro-5-fluorophenyl)acetamide has a molecular weight of 420.92 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-(3-chloro-5-fluorophenyl)acetamide is sourced from PubChem (CID 169215260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).