N'-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopentanecarboximidamide

C11H17N3O — CID 63176793

IUPACN'-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopentanecarboximidamide
SMILESCc1cc(C/N=C(\N)C2CCCC2)no1
InChIInChI=1S/C11H17N3O/c1-8-6-10(14-15-8)7-13-11(12)9-4-2-3-5-9/h6,9H,2-5,7H2,1H3,(H2,12,13)
InChIKeyIZTLKZXYMIZOMB-UHFFFAOYSA-N
MW207.28 g/mol
LogP2.03
Rot. Bonds3

About N'-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopentanecarboximidamide

N'-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopentanecarboximidamide (PubChem CID 63176793) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N'-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopentanecarboximidamide.

Molecular Properties

Compound NameN'-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopentanecarboximidamide
PubChem CID63176793
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN'-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopentanecarboximidamide
SMILESCc1cc(C/N=C(\N)C2CCCC2)no1
InChIInChI=1S/C11H17N3O/c1-8-6-10(14-15-8)7-13-11(12)9-4-2-3-5-9/h6,9H,2-5,7H2,1H3,(H2,12,13)
InChIKeyIZTLKZXYMIZOMB-UHFFFAOYSA-N
XLogP2.03
TPSA64.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N'-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenecarboximidamide
CID 63176850
1-amino-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-ylguanidine
CID 116513831
N'-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanecarboximidamide
CID 106423305
1-amino-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propylguanidine
CID 116513829
1-cyclopropyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine
CID 83826909
N-[2-(aminomethyl)cyclohexyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 119609935
3-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783675
2-[(5-methyl-1,2-oxazol-3-yl)methylamino]cycloheptane-1-carboxamide
CID 86802324
N'-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopropanecarboximidamide
CID 130892923
1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]propan-2-ol
CID 114338091
cyclopropyl-(5-methyl-1,2-oxazol-3-yl)methanone
CID 83681907
2,3-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine
CID 79407402

Frequently Asked Questions

What is the IUPAC name of N'-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopentanecarboximidamide?
The IUPAC name of N'-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopentanecarboximidamide (CID 63176793) is N'-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopentanecarboximidamide.
What is the SMILES notation for N'-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopentanecarboximidamide?
The canonical SMILES for N'-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopentanecarboximidamide is Cc1cc(C/N=C(\N)C2CCCC2)no1.
What is the InChIKey of N'-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopentanecarboximidamide?
The InChIKey is IZTLKZXYMIZOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-6-10(14-15-8)7-13-11(12)9-4-2-3-5-9/h6,9H,2-5,7H2,1H3,(H2,12,13).
What are the key properties of N'-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopentanecarboximidamide?
N'-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopentanecarboximidamide has a molecular weight of 207.28 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopentanecarboximidamide is sourced from PubChem (CID 63176793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).