N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-3,3-diphenylpropanamide

C27H34N4O2 — CID 60587499

IUPACN-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-3,3-diphenylpropanamide
SMILESCCN(CC)Cc1nc(C2(NC(=O)CC(c3ccccc3)c3ccccc3)CCCC2)no1
InChIInChI=1S/C27H34N4O2/c1-3-31(4-2)20-25-28-26(30-33-25)27(17-11-12-18-27)29-24(32)19-23(21-13-7-5-8-14-21)22-15-9-6-10-16-22/h5-10,13-16,23H,3-4,11-12,17-20H2,1-2H3,(H,29,32)
InChIKeyCUMVIGPCZPHJHQ-UHFFFAOYSA-N
MW446.60 g/mol
LogP5.02
Rot. Bonds10

About N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-3,3-diphenylpropanamide

N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-3,3-diphenylpropanamide (PubChem CID 60587499) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-3,3-diphenylpropanamide
PubChem CID60587499
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC NameN-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-3,3-diphenylpropanamide
SMILESCCN(CC)Cc1nc(C2(NC(=O)CC(c3ccccc3)c3ccccc3)CCCC2)no1
InChIInChI=1S/C27H34N4O2/c1-3-31(4-2)20-25-28-26(30-33-25)27(17-11-12-18-27)29-24(32)19-23(21-13-7-5-8-14-21)22-15-9-6-10-16-22/h5-10,13-16,23H,3-4,11-12,17-20H2,1-2H3,(H,29,32)
InChIKeyCUMVIGPCZPHJHQ-UHFFFAOYSA-N
XLogP5.02
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.60
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119864639
2-amino-N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]pentanamide
CID 119864624
3-(3-chlorophenoxy)-N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]propanamide
CID 60587411
2-[3-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]benzoic acid
CID 120549906
2-chloro-N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 55622366
N-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 75376285
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]propanamide
CID 60587661
4-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120674474
3-(4-methoxyphenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]butanamide
CID 139009627
N-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 71864405
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55872142
N-[2-(diethylamino)ethyl]-3,3-diphenylpropanamide
CID 59499353

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-3,3-diphenylpropanamide?
The IUPAC name of N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-3,3-diphenylpropanamide (CID 60587499) is N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-3,3-diphenylpropanamide is CCN(CC)Cc1nc(C2(NC(=O)CC(c3ccccc3)c3ccccc3)CCCC2)no1.
What is the InChIKey of N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-3,3-diphenylpropanamide?
The InChIKey is CUMVIGPCZPHJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-3-31(4-2)20-25-28-26(30-33-25)27(17-11-12-18-27)29-24(32)19-23(21-13-7-5-8-14-21)22-15-9-6-10-16-22/h5-10,13-16,23H,3-4,11-12,17-20H2,1-2H3,(H,29,32).
What are the key properties of N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-3,3-diphenylpropanamide?
N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-3,3-diphenylpropanamide has a molecular weight of 446.60 g/mol, XLogP of 5.02, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-3,3-diphenylpropanamide is sourced from PubChem (CID 60587499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).