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

C8H15N3O — CID 60722213

IUPACN-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCCCc1noc(CNCC)n1
InChIInChI=1S/C8H15N3O/c1-3-5-7-10-8(12-11-7)6-9-4-2/h9H,3-6H2,1-2H3
InChIKeyQIRPMRYGMGUXBG-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.13
Rot. Bonds5

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

N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (PubChem CID 60722213) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
PubChem CID60722213
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC NameN-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCCCc1noc(CNCC)n1
InChIInChI=1S/C8H15N3O/c1-3-5-7-10-8(12-11-7)6-9-4-2/h9H,3-6H2,1-2H3
InChIKeyQIRPMRYGMGUXBG-UHFFFAOYSA-N
XLogP1.13
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 60722113
N-[(5-nonyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 65427563
2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide
CID 107436449
(2S)-3,3-dimethyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]butan-1-ol
CID 86786943
N-[[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 61495179
2-[5-[(cyclopropylmethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N,N-diethylethanamine
CID 43655469
N-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 104880637
N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 60724943
N-ethyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]ethanamine
CID 62336858
5-(azidomethyl)-3-propyl-1,2,4-oxadiazole
CID 61374395
N-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 60835612
N-[[2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 61495262

Frequently Asked Questions

What is the IUPAC name of N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (CID 60722213) is N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is CCCc1noc(CNCC)n1.
What is the InChIKey of N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The InChIKey is QIRPMRYGMGUXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-3-5-7-10-8(12-11-7)6-9-4-2/h9H,3-6H2,1-2H3.
What are the key properties of N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine has a molecular weight of 169.23 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 60722213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).