7-(cyclopentylmethyl)-3-methyl-1-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-2H-purin-6-one

C20H29N5O2 — CID 134381895

IUPAC7-(cyclopentylmethyl)-3-methyl-1-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-2H-purin-6-one
SMILESCc1cc(CCCCN2CN(C)c3ncn(CC4CCCC4)c3C2=O)on1
InChIInChI=1S/C20H29N5O2/c1-15-11-17(27-22-15)9-5-6-10-24-14-23(2)19-18(20(24)26)25(13-21-19)12-16-7-3-4-8-16/h11,13,16H,3-10,12,14H2,1-2H3
InChIKeyLEVIMTNIUWODLK-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.24
Rot. Bonds7

About 7-(cyclopentylmethyl)-3-methyl-1-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-2H-purin-6-one

7-(cyclopentylmethyl)-3-methyl-1-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-2H-purin-6-one (PubChem CID 134381895) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 7-(cyclopentylmethyl)-3-methyl-1-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-2H-purin-6-one.

Molecular Properties

Compound Name7-(cyclopentylmethyl)-3-methyl-1-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-2H-purin-6-one
PubChem CID134381895
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name7-(cyclopentylmethyl)-3-methyl-1-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-2H-purin-6-one
SMILESCc1cc(CCCCN2CN(C)c3ncn(CC4CCCC4)c3C2=O)on1
InChIInChI=1S/C20H29N5O2/c1-15-11-17(27-22-15)9-5-6-10-24-14-23(2)19-18(20(24)26)25(13-21-19)12-16-7-3-4-8-16/h11,13,16H,3-10,12,14H2,1-2H3
InChIKeyLEVIMTNIUWODLK-UHFFFAOYSA-N
XLogP3.24
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-(cyclopentylmethyl)-3-methyl-1-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-2H-purin-6-one with MolForge

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Related Compounds

butane;7-(cyclopentylmethyl)-3-methyl-1-[4-(3-methyl-1,2-oxazol-5-yl)butyl]purine-2,6-dione
CID 145188695
6-(difluoromethyl)-3-[[1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944059
5-(4-bromobutyl)-3-methyl-1,2-oxazole;bromomethylcyclohexane;bis(7-(cyclohexylmethyl)-3-methyl-1-[4-(3-methyl-1,2-oxazol-5-yl)butyl]purine-2,6-dione);7-(cyclohexylmethyl)-3-methylpurine-2,6-dione;1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 159117725
7-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-1-(2-methylpropyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazin-1-ium-8-one
CID 140873456
7-(3-methyl-1,2-oxazol-5-yl)heptan-1-ol
CID 19894069
6-methyl-2-[[1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927103
3-methyl-1-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-7-(2-methylpentyl)purine-2,6-dione
CID 134381879
5-heptyl-3-methyl-1,2-oxazole
CID 57223532
(6S)-6-ethoxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]piperidin-2-one
CID 100928847
3-(cyclohexylmethyl)-6-hexylfuro[2,3-d]pyrimidin-2-one
CID 142960188
1-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]piperidine-3-carboxamide
CID 90537576
(5S)-5-ethoxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrrolidin-2-one
CID 100928844

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopentylmethyl)-3-methyl-1-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-2H-purin-6-one?
The IUPAC name of 7-(cyclopentylmethyl)-3-methyl-1-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-2H-purin-6-one (CID 134381895) is 7-(cyclopentylmethyl)-3-methyl-1-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-2H-purin-6-one.
What is the SMILES notation for 7-(cyclopentylmethyl)-3-methyl-1-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-2H-purin-6-one?
The canonical SMILES for 7-(cyclopentylmethyl)-3-methyl-1-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-2H-purin-6-one is Cc1cc(CCCCN2CN(C)c3ncn(CC4CCCC4)c3C2=O)on1.
What is the InChIKey of 7-(cyclopentylmethyl)-3-methyl-1-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-2H-purin-6-one?
The InChIKey is LEVIMTNIUWODLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-15-11-17(27-22-15)9-5-6-10-24-14-23(2)19-18(20(24)26)25(13-21-19)12-16-7-3-4-8-16/h11,13,16H,3-10,12,14H2,1-2H3.
What are the key properties of 7-(cyclopentylmethyl)-3-methyl-1-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-2H-purin-6-one?
7-(cyclopentylmethyl)-3-methyl-1-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-2H-purin-6-one has a molecular weight of 371.49 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopentylmethyl)-3-methyl-1-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-2H-purin-6-one is sourced from PubChem (CID 134381895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).