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

C14H19ClN4O — CID 106959812

IUPACN-[(4-chlorophenyl)methyl]-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCCCNCc1nnc(N(C)Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C14H19ClN4O/c1-3-8-16-9-13-17-18-14(20-13)19(2)10-11-4-6-12(15)7-5-11/h4-7,16H,3,8-10H2,1-2H3
InChIKeyBUPDOQOZOSAMCU-UHFFFAOYSA-N
MW294.79 g/mol
LogP2.86
Rot. Bonds7

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

N-[(4-chlorophenyl)methyl]-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106959812) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106959812
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC NameN-[(4-chlorophenyl)methyl]-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCCCNCc1nnc(N(C)Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C14H19ClN4O/c1-3-8-16-9-13-17-18-14(20-13)19(2)10-11-4-6-12(15)7-5-11/h4-7,16H,3,8-10H2,1-2H3
InChIKeyBUPDOQOZOSAMCU-UHFFFAOYSA-N
XLogP2.86
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 118740622
N-[(4-fluorophenyl)methyl]-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106960164
N-[(4-fluorophenyl)methyl]-N-methyl-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106960165
N-[(4-fluorophenyl)methyl]-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106960167
5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106960168
N-[(4-fluorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106960169
N-[(4-fluorophenyl)methyl]-N-methyl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106960170
N-[(4-fluorophenyl)methyl]-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106960171
5-[(tert-butylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106960172
N-[(4-fluorophenyl)methyl]-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106960173
5-[1-(ethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106960174
5-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106960175

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine (CID 106959812) is N-[(4-chlorophenyl)methyl]-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine is CCCNCc1nnc(N(C)Cc2ccc(Cl)cc2)o1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is BUPDOQOZOSAMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c1-3-8-16-9-13-17-18-14(20-13)19(2)10-11-4-6-12(15)7-5-11/h4-7,16H,3,8-10H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
N-[(4-chlorophenyl)methyl]-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 294.79 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106959812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).