[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine

C14H19N3O2 — CID 116701976

IUPAC[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
SMILESCCOC(CC)c1noc(C(N)c2ccccc2)n1
InChIInChI=1S/C14H19N3O2/c1-3-11(18-4-2)13-16-14(19-17-13)12(15)10-8-6-5-7-9-10/h5-9,11-12H,3-4,15H2,1-2H3
InChIKeyJYDIWKHCKYDPRU-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.61
Rot. Bonds6

About [3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine

[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine (PubChem CID 116701976) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is [3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine.

Molecular Properties

Compound Name[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
PubChem CID116701976
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
SMILESCCOC(CC)c1noc(C(N)c2ccccc2)n1
InChIInChI=1S/C14H19N3O2/c1-3-11(18-4-2)13-16-14(19-17-13)12(15)10-8-6-5-7-9-10/h5-9,11-12H,3-4,15H2,1-2H3
InChIKeyJYDIWKHCKYDPRU-UHFFFAOYSA-N
XLogP2.61
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 116703136
(1S,2S)-1-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900343
(1S)-1-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899946
2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine
CID 116733106
(3-ethyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine;hydrochloride
CID 146064560
ethyl 5-[(S)-amino(phenyl)methyl]-1,2,4-oxadiazole-3-carboxylate
CID 104898772
6-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine
CID 116701890
(R)-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898831
3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 116733133
2-[2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 116702123
(R)-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898781
(R)-(3-benzyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine
CID 29272835

Frequently Asked Questions

What is the IUPAC name of [3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
The IUPAC name of [3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine (CID 116701976) is [3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine.
What is the SMILES notation for [3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
The canonical SMILES for [3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine is CCOC(CC)c1noc(C(N)c2ccccc2)n1.
What is the InChIKey of [3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
The InChIKey is JYDIWKHCKYDPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-11(18-4-2)13-16-14(19-17-13)12(15)10-8-6-5-7-9-10/h5-9,11-12H,3-4,15H2,1-2H3.
What are the key properties of [3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine has a molecular weight of 261.32 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine is sourced from PubChem (CID 116701976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).