N-[[5-(1-phenylpropyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine

C14H19N3O — CID 62137199

IUPACN-[[5-(1-phenylpropyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nnc(C(CC)c2ccccc2)o1
InChIInChI=1S/C14H19N3O/c1-3-12(11-8-6-5-7-9-11)14-17-16-13(18-14)10-15-4-2/h5-9,12,15H,3-4,10H2,1-2H3
InChIKeyHOEFMSCHYCIQNS-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.72
Rot. Bonds6

About N-[[5-(1-phenylpropyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine

N-[[5-(1-phenylpropyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine (PubChem CID 62137199) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[[5-(1-phenylpropyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(1-phenylpropyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
PubChem CID62137199
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[[5-(1-phenylpropyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nnc(C(CC)c2ccccc2)o1
InChIInChI=1S/C14H19N3O/c1-3-12(11-8-6-5-7-9-11)14-17-16-13(18-14)10-15-4-2/h5-9,12,15H,3-4,10H2,1-2H3
InChIKeyHOEFMSCHYCIQNS-UHFFFAOYSA-N
XLogP2.72
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(1-phenylpropyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine with MolForge

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Related Compounds

5-(ethylaminomethyl)-N-(2-phenylpropyl)-1,3,4-oxadiazol-2-amine
CID 106964891
3-(5-ethyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoic acid
CID 82026604
2-(2-fluorophenyl)-5-(1-phenylpropyl)-1,3,4-oxadiazole
CID 43913128
(S)-(5-ethyl-1,3,4-oxadiazol-2-yl)-phenylmethanol
CID 101417641
1,1-diphenyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 52874291
5-(ethylaminomethyl)-N-methyl-N-phenyl-1,3,4-oxadiazol-2-amine
CID 106967692
N-[[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 79206848
2-(3-bromophenyl)-5-(1-phenylpropyl)-1,3,4-oxadiazole
CID 43913092
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-[(1S)-1-phenylpropyl]-1,3,4-oxadiazol-2-amine
CID 97339072
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 25218857
N-butyl-5-(ethylaminomethyl)-N-phenyl-1,3,4-oxadiazol-2-amine
CID 106962273
5-(ethylaminomethyl)-N-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine
CID 106969533

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-phenylpropyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(1-phenylpropyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine (CID 62137199) is N-[[5-(1-phenylpropyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(1-phenylpropyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(1-phenylpropyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine is CCNCc1nnc(C(CC)c2ccccc2)o1.
What is the InChIKey of N-[[5-(1-phenylpropyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The InChIKey is HOEFMSCHYCIQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-12(11-8-6-5-7-9-11)14-17-16-13(18-14)10-15-4-2/h5-9,12,15H,3-4,10H2,1-2H3.
What are the key properties of N-[[5-(1-phenylpropyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
N-[[5-(1-phenylpropyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-phenylpropyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 62137199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).