2-[[methyl-[[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]cyclopentan-1-ol

C18H25N3O2 — CID 109397740

IUPAC2-[[methyl-[[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]cyclopentan-1-ol
SMILESCc1ccccc1Cc1nc(CN(C)CC2CCCC2O)no1
InChIInChI=1S/C18H25N3O2/c1-13-6-3-4-7-14(13)10-18-19-17(20-23-18)12-21(2)11-15-8-5-9-16(15)22/h3-4,6-7,15-16,22H,5,8-12H2,1-2H3
InChIKeyWACXNDMZBUCARE-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.56
Rot. Bonds6

About 2-[[methyl-[[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]cyclopentan-1-ol

2-[[methyl-[[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]cyclopentan-1-ol (PubChem CID 109397740) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-[[methyl-[[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[methyl-[[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]cyclopentan-1-ol
PubChem CID109397740
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-[[methyl-[[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]cyclopentan-1-ol
SMILESCc1ccccc1Cc1nc(CN(C)CC2CCCC2O)no1
InChIInChI=1S/C18H25N3O2/c1-13-6-3-4-7-14(13)10-18-19-17(20-23-18)12-21(2)11-15-8-5-9-16(15)22/h3-4,6-7,15-16,22H,5,8-12H2,1-2H3
InChIKeyWACXNDMZBUCARE-UHFFFAOYSA-N
XLogP2.56
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[methyl-[[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]cyclopentan-1-ol 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-[[methyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]cyclopentan-1-ol
CID 109397716
2-[[benzyl(methyl)amino]methyl]cyclopentan-1-ol
CID 62609001
1-cyclopropyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 55202009
2-[[(2-bromophenyl)methyl-methylamino]methyl]cycloheptan-1-ol
CID 55094820
N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-[(2S)-oxan-2-yl]methanamine
CID 42395527
2-[[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 109397976
1-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 63349292
1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909685
N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 42189863
2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63350963
cis-(1S,2R)-2-[[(2,6-difluorophenyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 124515968
2-[[methyl-[(3-methylfuran-2-yl)methyl]amino]methyl]cyclohexan-1-ol
CID 110011456

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[methyl-[[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]cyclopentan-1-ol (CID 109397740) is 2-[[methyl-[[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[methyl-[[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[methyl-[[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]cyclopentan-1-ol is Cc1ccccc1Cc1nc(CN(C)CC2CCCC2O)no1.
What is the InChIKey of 2-[[methyl-[[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]cyclopentan-1-ol?
The InChIKey is WACXNDMZBUCARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13-6-3-4-7-14(13)10-18-19-17(20-23-18)12-21(2)11-15-8-5-9-16(15)22/h3-4,6-7,15-16,22H,5,8-12H2,1-2H3.
What are the key properties of 2-[[methyl-[[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]cyclopentan-1-ol?
2-[[methyl-[[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]cyclopentan-1-ol has a molecular weight of 315.42 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 109397740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).