1-amino-3-cyclopentyl-2-[(5-ethyl-1,3-oxazol-2-yl)methyl]guanidine

C12H21N5O — CID 106379079

IUPAC1-amino-3-cyclopentyl-2-[(5-ethyl-1,3-oxazol-2-yl)methyl]guanidine
SMILESCCc1cnc(C/N=C(\NN)NC2CCCC2)o1
InChIInChI=1S/C12H21N5O/c1-2-10-7-14-11(18-10)8-15-12(17-13)16-9-5-3-4-6-9/h7,9H,2-6,8,13H2,1H3,(H2,15,16,17)
InChIKeyAMNLBWDZEAUJMM-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.09
Rot. Bonds4

About 1-amino-3-cyclopentyl-2-[(5-ethyl-1,3-oxazol-2-yl)methyl]guanidine

1-amino-3-cyclopentyl-2-[(5-ethyl-1,3-oxazol-2-yl)methyl]guanidine (PubChem CID 106379079) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-amino-3-cyclopentyl-2-[(5-ethyl-1,3-oxazol-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-amino-3-cyclopentyl-2-[(5-ethyl-1,3-oxazol-2-yl)methyl]guanidine
PubChem CID106379079
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name1-amino-3-cyclopentyl-2-[(5-ethyl-1,3-oxazol-2-yl)methyl]guanidine
SMILESCCc1cnc(C/N=C(\NN)NC2CCCC2)o1
InChIInChI=1S/C12H21N5O/c1-2-10-7-14-11(18-10)8-15-12(17-13)16-9-5-3-4-6-9/h7,9H,2-6,8,13H2,1H3,(H2,15,16,17)
InChIKeyAMNLBWDZEAUJMM-UHFFFAOYSA-N
XLogP1.09
TPSA88.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(3-methoxypropyl)guanidine
CID 114181155
1-amino-3-cyclohexyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 114128975
1-amino-3-cyclohexyl-2-(thiophen-2-ylmethyl)guanidine
CID 116513137
1-cyclohexyl-3-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 110956978
1-cyclopentyl-3-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111495840
1-amino-3-cyclopentyl-2-[(4-fluoro-3,5-dimethylphenyl)methyl]guanidine
CID 116515958
1-amino-3-cyclohexyl-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 104887221
2-[[(cyclopentylamino)-hydrazinylmethylidene]amino]-N-ethylacetamide
CID 104883990
1-amino-3-cyclohexyl-2-[(4-fluorophenyl)methyl]guanidine
CID 116512388
1-amino-3-cyclopropyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 116514484
1-cyclohexyl-2-[(5-phenyl-1,3-oxazol-2-yl)methyl]guanidine;hydroiodide
CID 111068995
1-amino-3-cyclopentyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine
CID 106424851

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclopentyl-2-[(5-ethyl-1,3-oxazol-2-yl)methyl]guanidine?
The IUPAC name of 1-amino-3-cyclopentyl-2-[(5-ethyl-1,3-oxazol-2-yl)methyl]guanidine (CID 106379079) is 1-amino-3-cyclopentyl-2-[(5-ethyl-1,3-oxazol-2-yl)methyl]guanidine.
What is the SMILES notation for 1-amino-3-cyclopentyl-2-[(5-ethyl-1,3-oxazol-2-yl)methyl]guanidine?
The canonical SMILES for 1-amino-3-cyclopentyl-2-[(5-ethyl-1,3-oxazol-2-yl)methyl]guanidine is CCc1cnc(C/N=C(\NN)NC2CCCC2)o1.
What is the InChIKey of 1-amino-3-cyclopentyl-2-[(5-ethyl-1,3-oxazol-2-yl)methyl]guanidine?
The InChIKey is AMNLBWDZEAUJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-2-10-7-14-11(18-10)8-15-12(17-13)16-9-5-3-4-6-9/h7,9H,2-6,8,13H2,1H3,(H2,15,16,17).
What are the key properties of 1-amino-3-cyclopentyl-2-[(5-ethyl-1,3-oxazol-2-yl)methyl]guanidine?
1-amino-3-cyclopentyl-2-[(5-ethyl-1,3-oxazol-2-yl)methyl]guanidine has a molecular weight of 251.33 g/mol, XLogP of 1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclopentyl-2-[(5-ethyl-1,3-oxazol-2-yl)methyl]guanidine is sourced from PubChem (CID 106379079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).