[5-[[3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]methyl]-1,2,4-oxadiazol-3-yl]methanol

C18H21N7O2 — CID 137032568

IUPAC[5-[[3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]methyl]-1,2,4-oxadiazol-3-yl]methanol
SMILESCCC1CC(Cc2nc(CO)no2)CC1c1nnc2cnc3[nH]ccc3n12
InChIInChI=1S/C18H21N7O2/c1-2-11-5-10(7-16-21-14(9-26)24-27-16)6-12(11)18-23-22-15-8-20-17-13(25(15)18)3-4-19-17/h3-4,8,10-12,19,26H,2,5-7,9H2,1H3
InChIKeyVEFONLRVUIUHES-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.24
Rot. Bonds5

About [5-[[3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]methyl]-1,2,4-oxadiazol-3-yl]methanol

[5-[[3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]methyl]-1,2,4-oxadiazol-3-yl]methanol (PubChem CID 137032568) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is [5-[[3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]methyl]-1,2,4-oxadiazol-3-yl]methanol.

Molecular Properties

Compound Name[5-[[3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]methyl]-1,2,4-oxadiazol-3-yl]methanol
PubChem CID137032568
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name[5-[[3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]methyl]-1,2,4-oxadiazol-3-yl]methanol
SMILESCCC1CC(Cc2nc(CO)no2)CC1c1nnc2cnc3[nH]ccc3n12
InChIInChI=1S/C18H21N7O2/c1-2-11-5-10(7-16-21-14(9-26)24-27-16)6-12(11)18-23-22-15-8-20-17-13(25(15)18)3-4-19-17/h3-4,8,10-12,19,26H,2,5-7,9H2,1H3
InChIKeyVEFONLRVUIUHES-UHFFFAOYSA-N
XLogP2.24
TPSA118.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [5-[[3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]methyl]-1,2,4-oxadiazol-3-yl]methanol 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

5-[[(1R,3R,4S)-3-ethyl-4-[10-(trifluoromethyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 58557608
5-[[3-Ethyl-4-[10-(trifluoromethyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 123524352
(1R,3R,4S)-3-ethyl-4-(6H-pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyrazin-1-yl)-N-(2,2,2-trifluoroethyl)cyclopentanecarboxamide
CID 136238830
(1R,3R,4S)-3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentane-1-carboxylic acid;(1R,3R,4S)-3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 157321114
ethyl 2-((1S,3R,4S)-3-ethyl-4-(6H-pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyrazin-1-yl)cyclopentyl)acetate
CID 136009208
2-[(1R,3R,4S)-3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]ethanol
CID 136009212
ethyl 2-((1R,3R,4S)-3-ethyl-4-(6H-pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyrazin-1-yl)cyclopentyl)acetate
CID 136009214
3-cyclopropyl-5-[[(1S,3R,4S)-3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]methyl]-1,2,4-oxadiazole
CID 136009273
4-(3-ethyl-4-(6H-pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyrazin-1-yl)cyclopentyl)butanamide
CID 136009357
2-[(1S,3R,4S)-3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]ethanol
CID 136009377
N-cyclopropyl-2-[(1S,3R,4S)-3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]acetamide
CID 136009411
5-(((1S,3R,4S)-3-ethyl-4-(6H-pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyrazin-1-yl)cyclopentyl)methyl)-3-(methoxymethyl)-1,2,4-oxadiazole
CID 136009420

Frequently Asked Questions

What is the IUPAC name of [5-[[3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]methyl]-1,2,4-oxadiazol-3-yl]methanol?
The IUPAC name of [5-[[3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]methyl]-1,2,4-oxadiazol-3-yl]methanol (CID 137032568) is [5-[[3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]methyl]-1,2,4-oxadiazol-3-yl]methanol.
What is the SMILES notation for [5-[[3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]methyl]-1,2,4-oxadiazol-3-yl]methanol?
The canonical SMILES for [5-[[3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]methyl]-1,2,4-oxadiazol-3-yl]methanol is CCC1CC(Cc2nc(CO)no2)CC1c1nnc2cnc3[nH]ccc3n12.
What is the InChIKey of [5-[[3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]methyl]-1,2,4-oxadiazol-3-yl]methanol?
The InChIKey is VEFONLRVUIUHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-2-11-5-10(7-16-21-14(9-26)24-27-16)6-12(11)18-23-22-15-8-20-17-13(25(15)18)3-4-19-17/h3-4,8,10-12,19,26H,2,5-7,9H2,1H3.
What are the key properties of [5-[[3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]methyl]-1,2,4-oxadiazol-3-yl]methanol?
[5-[[3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]methyl]-1,2,4-oxadiazol-3-yl]methanol has a molecular weight of 367.41 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]methyl]-1,2,4-oxadiazol-3-yl]methanol is sourced from PubChem (CID 137032568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).