N-ethyl-1-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine

C16H23N3O2 — CID 63352522

IUPACN-ethyl-1-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCCC(Cc1nc(COc2ccccc2)no1)NCC
InChIInChI=1S/C16H23N3O2/c1-3-8-13(17-4-2)11-16-18-15(19-21-16)12-20-14-9-6-5-7-10-14/h5-7,9-10,13,17H,3-4,8,11-12H2,1-2H3
InChIKeyNRQPPPZRVASSPC-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.97
Rot. Bonds9

About N-ethyl-1-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine

N-ethyl-1-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 63352522) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-ethyl-1-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID63352522
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-ethyl-1-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCCC(Cc1nc(COc2ccccc2)no1)NCC
InChIInChI=1S/C16H23N3O2/c1-3-8-13(17-4-2)11-16-18-15(19-21-16)12-20-14-9-6-5-7-10-14/h5-7,9-10,13,17H,3-4,8,11-12H2,1-2H3
InChIKeyNRQPPPZRVASSPC-UHFFFAOYSA-N
XLogP2.97
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-2-amine
CID 63348276
N-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63351995
1-cyclopropyl-N-methyl-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 63352086
(2S)-4-methyl-2-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine
CID 104916110
1-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-2-amine
CID 65138207
1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethyl-3-methoxypropan-2-amine
CID 63347485
5-(2-chloroethyl)-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 62717373
N-[[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine
CID 61495423
N-propyl-1-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 103476823
3-[(4-chlorophenoxy)methyl]-5-propyl-1,2,4-oxadiazole
CID 63861167
4-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 63845067
4-[4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butan-2-ol
CID 61495563

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of N-ethyl-1-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 63352522) is N-ethyl-1-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for N-ethyl-1-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for N-ethyl-1-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is CCCC(Cc1nc(COc2ccccc2)no1)NCC.
What is the InChIKey of N-ethyl-1-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is NRQPPPZRVASSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-8-13(17-4-2)11-16-18-15(19-21-16)12-20-14-9-6-5-7-10-14/h5-7,9-10,13,17H,3-4,8,11-12H2,1-2H3.
What are the key properties of N-ethyl-1-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
N-ethyl-1-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 289.38 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 63352522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).