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

C14H19N3O2 — CID 104685787

IUPAC4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCOc1ccc(-c2noc(C(C)CCCN)n2)cc1
InChIInChI=1S/C14H19N3O2/c1-10(4-3-9-15)14-16-13(17-19-14)11-5-7-12(18-2)8-6-11/h5-8,10H,3-4,9,15H2,1-2H3
InChIKeyNPKSKLBOOKKCEJ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.59
Rot. Bonds6

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

4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (PubChem CID 104685787) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.

Molecular Properties

Compound Name4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
PubChem CID104685787
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCOc1ccc(-c2noc(C(C)CCCN)n2)cc1
InChIInChI=1S/C14H19N3O2/c1-10(4-3-9-15)14-16-13(17-19-14)11-5-7-12(18-2)8-6-11/h5-8,10H,3-4,9,15H2,1-2H3
InChIKeyNPKSKLBOOKKCEJ-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685798
4-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685792
2-amino-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66167737
4-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685803
4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685789
4-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107502115
4-[3-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 106818844
(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66262874
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 55137901
3-(6-butoxynaphthalen-2-yl)-5-[(2S)-hexan-2-yl]-1,2,4-oxadiazole
CID 145378566
1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]butane-1,4-diamine
CID 171774483
3-(4-chlorophenyl)-5-[1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazole
CID 3159112

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The IUPAC name of 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (CID 104685787) is 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.
What is the SMILES notation for 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The canonical SMILES for 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is COc1ccc(-c2noc(C(C)CCCN)n2)cc1.
What is the InChIKey of 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The InChIKey is NPKSKLBOOKKCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(4-3-9-15)14-16-13(17-19-14)11-5-7-12(18-2)8-6-11/h5-8,10H,3-4,9,15H2,1-2H3.
What are the key properties of 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine has a molecular weight of 261.32 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is sourced from PubChem (CID 104685787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).