N-ethyl-N-phenyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine

C14H20N4O — CID 106967964

IUPACN-ethyl-N-phenyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCCCNCc1nnc(N(CC)c2ccccc2)o1
InChIInChI=1S/C14H20N4O/c1-3-10-15-11-13-16-17-14(19-13)18(4-2)12-8-6-5-7-9-12/h5-9,15H,3-4,10-11H2,1-2H3
InChIKeyQGERIVLPZAANTC-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.73
Rot. Bonds7

About N-ethyl-N-phenyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine

N-ethyl-N-phenyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106967964) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-ethyl-N-phenyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-N-phenyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106967964
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-ethyl-N-phenyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCCCNCc1nnc(N(CC)c2ccccc2)o1
InChIInChI=1S/C14H20N4O/c1-3-10-15-11-13-16-17-14(19-13)18(4-2)12-8-6-5-7-9-12/h5-9,15H,3-4,10-11H2,1-2H3
InChIKeyQGERIVLPZAANTC-UHFFFAOYSA-N
XLogP2.73
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.73
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-ethyl-N-(2-methylphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106966903
N-butyl-5-(ethylaminomethyl)-N-phenyl-1,3,4-oxadiazol-2-amine
CID 106962273
2-N-ethyl-2-N-phenyl-1,3,4-oxadiazole-2,5-diamine
CID 103436569
5-(ethylaminomethyl)-N-methyl-N-phenyl-1,3,4-oxadiazol-2-amine
CID 106967692
N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 55039594
N-[1-(2-fluorophenyl)ethyl]-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106960864
N-methyl-N-(oxan-4-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106969389
N-ethyl-N-phenyl-5-(propylaminomethyl)pyrazin-2-amine
CID 107378961
N-ethyl-5-[1-(ethylamino)ethyl]-N-phenyl-1,3,4-oxadiazol-2-amine
CID 106967971
N-(1,1-dioxothiolan-3-yl)-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106969463
N-[(4-chlorophenyl)methyl]-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106959812
N-(2,2-difluoroethyl)-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106965364

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-ethyl-N-phenyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine (CID 106967964) is N-ethyl-N-phenyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-ethyl-N-phenyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-ethyl-N-phenyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine is CCCNCc1nnc(N(CC)c2ccccc2)o1.
What is the InChIKey of N-ethyl-N-phenyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is QGERIVLPZAANTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-10-15-11-13-16-17-14(19-13)18(4-2)12-8-6-5-7-9-12/h5-9,15H,3-4,10-11H2,1-2H3.
What are the key properties of N-ethyl-N-phenyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
N-ethyl-N-phenyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 260.34 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106967964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).