N'-(2-methylprop-1-enyl)-N-[5-(propylaminomethyl)-1,3-oxazol-2-yl]ethanimidamide

C13H22N4O — CID 177246153

IUPACN'-(2-methylprop-1-enyl)-N-[5-(propylaminomethyl)-1,3-oxazol-2-yl]ethanimidamide
SMILESCCCNCc1cnc(N/C(C)=N/C=C(C)C)o1
InChIInChI=1S/C13H22N4O/c1-5-6-14-8-12-9-16-13(18-12)17-11(4)15-7-10(2)3/h7,9,14H,5-6,8H2,1-4H3,(H,15,16,17)
InChIKeyPLBHSCCPERJOEX-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.93
Rot. Bonds6

About N'-(2-methylprop-1-enyl)-N-[5-(propylaminomethyl)-1,3-oxazol-2-yl]ethanimidamide

N'-(2-methylprop-1-enyl)-N-[5-(propylaminomethyl)-1,3-oxazol-2-yl]ethanimidamide (PubChem CID 177246153) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N'-(2-methylprop-1-enyl)-N-[5-(propylaminomethyl)-1,3-oxazol-2-yl]ethanimidamide.

Molecular Properties

Compound NameN'-(2-methylprop-1-enyl)-N-[5-(propylaminomethyl)-1,3-oxazol-2-yl]ethanimidamide
PubChem CID177246153
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN'-(2-methylprop-1-enyl)-N-[5-(propylaminomethyl)-1,3-oxazol-2-yl]ethanimidamide
SMILESCCCNCc1cnc(N/C(C)=N/C=C(C)C)o1
InChIInChI=1S/C13H22N4O/c1-5-6-14-8-12-9-16-13(18-12)17-11(4)15-7-10(2)3/h7,9,14H,5-6,8H2,1-4H3,(H,15,16,17)
InChIKeyPLBHSCCPERJOEX-UHFFFAOYSA-N
XLogP2.93
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methylprop-1-enyl)-N-[5-(propylaminomethyl)-1,3-oxazol-2-yl]ethanimidamide?
The IUPAC name of N'-(2-methylprop-1-enyl)-N-[5-(propylaminomethyl)-1,3-oxazol-2-yl]ethanimidamide (CID 177246153) is N'-(2-methylprop-1-enyl)-N-[5-(propylaminomethyl)-1,3-oxazol-2-yl]ethanimidamide.
What is the SMILES notation for N'-(2-methylprop-1-enyl)-N-[5-(propylaminomethyl)-1,3-oxazol-2-yl]ethanimidamide?
The canonical SMILES for N'-(2-methylprop-1-enyl)-N-[5-(propylaminomethyl)-1,3-oxazol-2-yl]ethanimidamide is CCCNCc1cnc(N/C(C)=N/C=C(C)C)o1.
What is the InChIKey of N'-(2-methylprop-1-enyl)-N-[5-(propylaminomethyl)-1,3-oxazol-2-yl]ethanimidamide?
The InChIKey is PLBHSCCPERJOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-5-6-14-8-12-9-16-13(18-12)17-11(4)15-7-10(2)3/h7,9,14H,5-6,8H2,1-4H3,(H,15,16,17).
What are the key properties of N'-(2-methylprop-1-enyl)-N-[5-(propylaminomethyl)-1,3-oxazol-2-yl]ethanimidamide?
N'-(2-methylprop-1-enyl)-N-[5-(propylaminomethyl)-1,3-oxazol-2-yl]ethanimidamide has a molecular weight of 250.35 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylprop-1-enyl)-N-[5-(propylaminomethyl)-1,3-oxazol-2-yl]ethanimidamide is sourced from PubChem (CID 177246153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).