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

C18H20ClFN4O2 — CID 169215280

IUPACN-(3-chloro-5-fluorophenyl)-2-[6-[(2-methyl-1,3-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]acetamide
SMILESCc1nc(CN2CC3(CN(CC(=O)Nc4cc(F)cc(Cl)c4)C3)C2)co1
InChIInChI=1S/C18H20ClFN4O2/c1-12-21-16(7-26-12)5-23-8-18(9-23)10-24(11-18)6-17(25)22-15-3-13(19)2-14(20)4-15/h2-4,7H,5-6,8-11H2,1H3,(H,22,25)
InChIKeyDZJIWXNDNYFHJV-UHFFFAOYSA-N
MW378.84 g/mol
LogP2.53
Rot. Bonds5

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

N-(3-chloro-5-fluorophenyl)-2-[6-[(2-methyl-1,3-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]acetamide (PubChem CID 169215280) has the molecular formula C18H20ClFN4O2 and a molecular weight of 378.84 g/mol. Its IUPAC name is N-(3-chloro-5-fluorophenyl)-2-[6-[(2-methyl-1,3-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-5-fluorophenyl)-2-[6-[(2-methyl-1,3-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]acetamide
PubChem CID169215280
Molecular FormulaC18H20ClFN4O2
Molecular Weight378.84 g/mol
Exact Mass378.13
IUPAC NameN-(3-chloro-5-fluorophenyl)-2-[6-[(2-methyl-1,3-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]acetamide
SMILESCc1nc(CN2CC3(CN(CC(=O)Nc4cc(F)cc(Cl)c4)C3)C2)co1
InChIInChI=1S/C18H20ClFN4O2/c1-12-21-16(7-26-12)5-23-8-18(9-23)10-24(11-18)6-17(25)22-15-3-13(19)2-14(20)4-15/h2-4,7H,5-6,8-11H2,1H3,(H,22,25)
InChIKeyDZJIWXNDNYFHJV-UHFFFAOYSA-N
XLogP2.53
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.84
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

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
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
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-[(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
2-(1-aminocyclohexyl)-N-(3-chloro-5-fluorophenyl)acetamide
CID 107365940

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-fluorophenyl)-2-[6-[(2-methyl-1,3-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]acetamide?
The IUPAC name of 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) is N-(3-chloro-5-fluorophenyl)-2-[6-[(2-methyl-1,3-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]acetamide.
What is the SMILES notation for N-(3-chloro-5-fluorophenyl)-2-[6-[(2-methyl-1,3-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]acetamide?
The canonical SMILES for N-(3-chloro-5-fluorophenyl)-2-[6-[(2-methyl-1,3-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]acetamide is Cc1nc(CN2CC3(CN(CC(=O)Nc4cc(F)cc(Cl)c4)C3)C2)co1.
What is the InChIKey of N-(3-chloro-5-fluorophenyl)-2-[6-[(2-methyl-1,3-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]acetamide?
The InChIKey is DZJIWXNDNYFHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN4O2/c1-12-21-16(7-26-12)5-23-8-18(9-23)10-24(11-18)6-17(25)22-15-3-13(19)2-14(20)4-15/h2-4,7H,5-6,8-11H2,1H3,(H,22,25).
What are the key properties of N-(3-chloro-5-fluorophenyl)-2-[6-[(2-methyl-1,3-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]acetamide?
N-(3-chloro-5-fluorophenyl)-2-[6-[(2-methyl-1,3-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]acetamide has a molecular weight of 378.84 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-fluorophenyl)-2-[6-[(2-methyl-1,3-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]acetamide is sourced from PubChem (CID 169215280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).