N-[1-(4-chlorophenyl)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine

C14H19ClN4O2 — CID 106970950

IUPACN-[1-(4-chlorophenyl)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCOCCNCc1nnc(NC(C)c2ccc(Cl)cc2)o1
InChIInChI=1S/C14H19ClN4O2/c1-10(11-3-5-12(15)6-4-11)17-14-19-18-13(21-14)9-16-7-8-20-2/h3-6,10,16H,7-9H2,1-2H3,(H,17,19)
InChIKeyLAALXLLVSJUMJB-UHFFFAOYSA-N
MW310.79 g/mol
LogP2.63
Rot. Bonds8

About N-[1-(4-chlorophenyl)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine

N-[1-(4-chlorophenyl)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106970950) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106970950
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCOCCNCc1nnc(NC(C)c2ccc(Cl)cc2)o1
InChIInChI=1S/C14H19ClN4O2/c1-10(11-3-5-12(15)6-4-11)17-14-19-18-13(21-14)9-16-7-8-20-2/h3-6,10,16H,7-9H2,1-2H3,(H,17,19)
InChIKeyLAALXLLVSJUMJB-UHFFFAOYSA-N
XLogP2.63
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-fluorophenyl)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970761
N-(5-chloro-2-fluorophenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968952
5-[(2-methoxyethylamino)methyl]-N-(1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106960989
N-(3-ethylpentan-2-yl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106961187
5-(methylaminomethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 137343503
5-(ethylaminomethyl)-N-[1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106970455
N-(1-cyclopropylpropan-2-yl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106961383
5-[(2-methoxyethylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106965524
N-(2,6-difluorophenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968469
N-[(2,5-difluorophenyl)methyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106961530
N-[2-(5-chlorothiophen-2-yl)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106046898
5-[(2-methoxyethylamino)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106968280

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine (CID 106970950) is N-[1-(4-chlorophenyl)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine is COCCNCc1nnc(NC(C)c2ccc(Cl)cc2)o1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is LAALXLLVSJUMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2/c1-10(11-3-5-12(15)6-4-11)17-14-19-18-13(21-14)9-16-7-8-20-2/h3-6,10,16H,7-9H2,1-2H3,(H,17,19).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine?
N-[1-(4-chlorophenyl)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 310.79 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106970950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).