cyclopentyl-[2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]methanone

C18H23N3O2 — CID 86779722

IUPACcyclopentyl-[2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]methanone
SMILESCC(C)c1nnc(CNc2ccccc2C(=O)C2CCCC2)o1
InChIInChI=1S/C18H23N3O2/c1-12(2)18-21-20-16(23-18)11-19-15-10-6-5-9-14(15)17(22)13-7-3-4-8-13/h5-6,9-10,12-13,19H,3-4,7-8,11H2,1-2H3
InChIKeyVCAVOSCYNVLRRS-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.18
Rot. Bonds6

About cyclopentyl-[2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]methanone

cyclopentyl-[2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]methanone (PubChem CID 86779722) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is cyclopentyl-[2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]methanone.

Molecular Properties

Compound Namecyclopentyl-[2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]methanone
PubChem CID86779722
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Namecyclopentyl-[2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]methanone
SMILESCC(C)c1nnc(CNc2ccccc2C(=O)C2CCCC2)o1
InChIInChI=1S/C18H23N3O2/c1-12(2)18-21-20-16(23-18)11-19-15-10-6-5-9-14(15)17(22)13-7-3-4-8-13/h5-6,9-10,12-13,19H,3-4,7-8,11H2,1-2H3
InChIKeyVCAVOSCYNVLRRS-UHFFFAOYSA-N
XLogP4.18
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cyclopentyl-[2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]methanone 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

2-fluoro-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110368258
cyclohexyl-(2-propan-2-ylphenyl)methanone
CID 146007151
1-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone
CID 99633329
N-[2-(cyclohexanecarbonyl)phenyl]methanesulfonamide
CID 14771346
1-[(3S)-3-phenylpyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 93242539
cyclohexyl-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
CID 110395857
N-[2-(cyclopropanecarbonyl)phenyl]acetamide
CID 102044050
cyclopropyl-(2-propan-2-ylphenyl)methanone
CID 53437883
cycloheptyl-(2-iodophenyl)methanone
CID 115794862
cyclooctyl-(2-methylphenyl)methanone
CID 80602643
cycloheptyl-(2-methylsulfanylphenyl)methanone
CID 115794815
methyl 2-(cyclopentylmethylamino)benzoate
CID 55030315

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]methanone?
The IUPAC name of cyclopentyl-[2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]methanone (CID 86779722) is cyclopentyl-[2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]methanone.
What is the SMILES notation for cyclopentyl-[2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]methanone?
The canonical SMILES for cyclopentyl-[2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]methanone is CC(C)c1nnc(CNc2ccccc2C(=O)C2CCCC2)o1.
What is the InChIKey of cyclopentyl-[2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]methanone?
The InChIKey is VCAVOSCYNVLRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12(2)18-21-20-16(23-18)11-19-15-10-6-5-9-14(15)17(22)13-7-3-4-8-13/h5-6,9-10,12-13,19H,3-4,7-8,11H2,1-2H3.
What are the key properties of cyclopentyl-[2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]methanone?
cyclopentyl-[2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]methanone has a molecular weight of 313.40 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]methanone is sourced from PubChem (CID 86779722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).