5-(ethylaminomethyl)-N-(2-phenylpropyl)-1,3,4-oxadiazol-2-amine

C14H20N4O — CID 106964891

IUPAC5-(ethylaminomethyl)-N-(2-phenylpropyl)-1,3,4-oxadiazol-2-amine
SMILESCCNCc1nnc(NCC(C)c2ccccc2)o1
InChIInChI=1S/C14H20N4O/c1-3-15-10-13-17-18-14(19-13)16-9-11(2)12-7-5-4-6-8-12/h4-8,11,15H,3,9-10H2,1-2H3,(H,16,18)
InChIKeyWVRXJGZAIHBHCC-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.39
Rot. Bonds7

About 5-(ethylaminomethyl)-N-(2-phenylpropyl)-1,3,4-oxadiazol-2-amine

5-(ethylaminomethyl)-N-(2-phenylpropyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106964891) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(2-phenylpropyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(2-phenylpropyl)-1,3,4-oxadiazol-2-amine
PubChem CID106964891
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name5-(ethylaminomethyl)-N-(2-phenylpropyl)-1,3,4-oxadiazol-2-amine
SMILESCCNCc1nnc(NCC(C)c2ccccc2)o1
InChIInChI=1S/C14H20N4O/c1-3-15-10-13-17-18-14(19-13)16-9-11(2)12-7-5-4-6-8-12/h4-8,11,15H,3,9-10H2,1-2H3,(H,16,18)
InChIKeyWVRXJGZAIHBHCC-UHFFFAOYSA-N
XLogP2.39
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylaminomethyl)-N-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine
CID 106969533
N-(2-cyclopropylpropyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106964701
N-[[5-(1-phenylpropyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 62137199
5-(ethylaminomethyl)-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106967437
5-(ethylaminomethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine
CID 107819593
5-(ethylaminomethyl)-N-(5-methylhexyl)-1,3,4-oxadiazol-2-amine
CID 106963651
5-(ethylaminomethyl)-N-[1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106970455
5-(ethylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106969546
N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine
CID 97206560
N-(2,3-dihydro-1H-inden-2-yl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 107856398
5-(ethylaminomethyl)-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106963515
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-(2-phenylpropyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(ethylaminomethyl)-N-(2-phenylpropyl)-1,3,4-oxadiazol-2-amine (CID 106964891) is 5-(ethylaminomethyl)-N-(2-phenylpropyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(2-phenylpropyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(ethylaminomethyl)-N-(2-phenylpropyl)-1,3,4-oxadiazol-2-amine is CCNCc1nnc(NCC(C)c2ccccc2)o1.
What is the InChIKey of 5-(ethylaminomethyl)-N-(2-phenylpropyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is WVRXJGZAIHBHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-15-10-13-17-18-14(19-13)16-9-11(2)12-7-5-4-6-8-12/h4-8,11,15H,3,9-10H2,1-2H3,(H,16,18).
What are the key properties of 5-(ethylaminomethyl)-N-(2-phenylpropyl)-1,3,4-oxadiazol-2-amine?
5-(ethylaminomethyl)-N-(2-phenylpropyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 260.34 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-(2-phenylpropyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106964891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).