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

C14H19N3O2 — CID 63352262

IUPAC3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCC(c1nc(COc2ccccc2)no1)C(C)N
InChIInChI=1S/C14H19N3O2/c1-3-12(10(2)15)14-16-13(17-19-14)9-18-11-7-5-4-6-8-11/h4-8,10,12H,3,9,15H2,1-2H3
InChIKeyTUGIBYXFFVMZIM-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.49
Rot. Bonds6

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

3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 63352262) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound Name3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID63352262
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCC(c1nc(COc2ccccc2)no1)C(C)N
InChIInChI=1S/C14H19N3O2/c1-3-12(10(2)15)14-16-13(17-19-14)9-18-11-7-5-4-6-8-11/h4-8,10,12H,3,9,15H2,1-2H3
InChIKeyTUGIBYXFFVMZIM-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1S)-1-cyclopropylethyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 99818778
N-methyl-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 63561258
4-methyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63346014
3-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine;hydrochloride
CID 120893768
(1R)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 78933139
(1R)-1-[3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 55188676
3-(phenoxymethyl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 62716190
3-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63892393
1-[2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 61497359
3-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63347122
3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 115534479
5-propan-2-yl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 63362147

Frequently Asked Questions

What is the IUPAC name of 3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of 3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 63352262) is 3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for 3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for 3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is CCC(c1nc(COc2ccccc2)no1)C(C)N.
What is the InChIKey of 3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is TUGIBYXFFVMZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-12(10(2)15)14-16-13(17-19-14)9-18-11-7-5-4-6-8-11/h4-8,10,12H,3,9,15H2,1-2H3.
What are the key properties of 3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 261.32 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 63352262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).