N-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

C18H29N5O2 — CID 75375403

IUPACN-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESCC(NC(=O)N1CCC2CCC(C1)N2C)c1nc(C2CCCC2)no1
InChIInChI=1S/C18H29N5O2/c1-12(17-20-16(21-25-17)13-5-3-4-6-13)19-18(24)23-10-9-14-7-8-15(11-23)22(14)2/h12-15H,3-11H2,1-2H3,(H,19,24)
InChIKeyBHAQOWMXJIIXOG-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.67
Rot. Bonds3

About N-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

N-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (PubChem CID 75375403) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
PubChem CID75375403
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESCC(NC(=O)N1CCC2CCC(C1)N2C)c1nc(C2CCCC2)no1
InChIInChI=1S/C18H29N5O2/c1-12(17-20-16(21-25-17)13-5-3-4-6-13)19-18(24)23-10-9-14-7-8-15(11-23)22(14)2/h12-15H,3-11H2,1-2H3,(H,19,24)
InChIKeyBHAQOWMXJIIXOG-UHFFFAOYSA-N
XLogP2.67
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide 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-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 119817384
5-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]furan-3-carboxylic acid
CID 126778226
1-[(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 95960904
N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119817375
3-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 119817400
N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethylpyrazole-4-carboxamide
CID 125159643
N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxy-2-phenylacetamide
CID 111540799
1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea
CID 111506795
4-chloro-N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpyrazole-5-carboxamide
CID 125436990
cyclopentyl-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 94394067
N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]furan-3-carboxamide
CID 122564099
3-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 122004494

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The IUPAC name of N-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (CID 75375403) is N-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.
What is the SMILES notation for N-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The canonical SMILES for N-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is CC(NC(=O)N1CCC2CCC(C1)N2C)c1nc(C2CCCC2)no1.
What is the InChIKey of N-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The InChIKey is BHAQOWMXJIIXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-12(17-20-16(21-25-17)13-5-3-4-6-13)19-18(24)23-10-9-14-7-8-15(11-23)22(14)2/h12-15H,3-11H2,1-2H3,(H,19,24).
What are the key properties of N-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
N-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is sourced from PubChem (CID 75375403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).