1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]guanidine

C21H29N5O — CID 119150732

IUPAC1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]guanidine
SMILESC/N=C(\NCc1cc(-c2ccccc2)no1)NC1CCN(C2CCCC2)C1
InChIInChI=1S/C21H29N5O/c1-22-21(24-17-11-12-26(15-17)18-9-5-6-10-18)23-14-19-13-20(25-27-19)16-7-3-2-4-8-16/h2-4,7-8,13,17-18H,5-6,9-12,14-15H2,1H3,(H2,22,23,24)
InChIKeyJYMLJGPXZNMHOB-UHFFFAOYSA-N
MW367.50 g/mol
LogP3.02
Rot. Bonds5

About 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]guanidine

1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]guanidine (PubChem CID 119150732) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]guanidine
PubChem CID119150732
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]guanidine
SMILESC/N=C(\NCc1cc(-c2ccccc2)no1)NC1CCN(C2CCCC2)C1
InChIInChI=1S/C21H29N5O/c1-22-21(24-17-11-12-26(15-17)18-9-5-6-10-18)23-14-19-13-20(25-27-19)16-7-3-2-4-8-16/h2-4,7-8,13,17-18H,5-6,9-12,14-15H2,1H3,(H2,22,23,24)
InChIKeyJYMLJGPXZNMHOB-UHFFFAOYSA-N
XLogP3.02
TPSA65.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine
CID 119150752
N',3-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide
CID 119130050
N-[2-[[N-(1-cyclopentylpyrrolidin-3-yl)-N'-methylcarbamimidoyl]amino]ethyl]benzamide
CID 111918331
1-(1-cyclopentylpyrrolidin-3-yl)-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methylguanidine
CID 111920137
1-(1,3-benzodioxol-5-ylmethyl)-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine
CID 111918611
2-[[N-(1-cyclopentylpyrrolidin-3-yl)-N'-methylcarbamimidoyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 111918531
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111918546
1-(1-cyclopentylpyrrolidin-3-yl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine
CID 119157142
1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine
CID 119150295
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(2-nitrophenyl)methyl]guanidine
CID 111918525
1-(1-cyclopentylpyrrolidin-3-yl)-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111920118
1-(1,3-benzodioxol-5-ylmethyl)-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide
CID 111918610

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]guanidine?
The IUPAC name of 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]guanidine (CID 119150732) is 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]guanidine.
What is the SMILES notation for 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]guanidine?
The canonical SMILES for 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]guanidine is C/N=C(\NCc1cc(-c2ccccc2)no1)NC1CCN(C2CCCC2)C1.
What is the InChIKey of 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]guanidine?
The InChIKey is JYMLJGPXZNMHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-22-21(24-17-11-12-26(15-17)18-9-5-6-10-18)23-14-19-13-20(25-27-19)16-7-3-2-4-8-16/h2-4,7-8,13,17-18H,5-6,9-12,14-15H2,1H3,(H2,22,23,24).
What are the key properties of 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]guanidine?
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]guanidine has a molecular weight of 367.50 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]guanidine is sourced from PubChem (CID 119150732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).