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

C14H19N3O2 — CID 104685789

IUPAC4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCOc1ccccc1-c1noc(C(C)CCCN)n1
InChIInChI=1S/C14H19N3O2/c1-10(6-5-9-15)14-16-13(17-19-14)11-7-3-4-8-12(11)18-2/h3-4,7-8,10H,5-6,9,15H2,1-2H3
InChIKeyIXSYINOUCARFAI-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.59
Rot. Bonds6

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

4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (PubChem CID 104685789) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.

Molecular Properties

Compound Name4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
PubChem CID104685789
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCOc1ccccc1-c1noc(C(C)CCCN)n1
InChIInChI=1S/C14H19N3O2/c1-10(6-5-9-15)14-16-13(17-19-14)11-7-3-4-8-12(11)18-2/h3-4,7-8,10H,5-6,9,15H2,1-2H3
InChIKeyIXSYINOUCARFAI-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-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 106818844
1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 56810229
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685787
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63346270
4-[3-(2-bromo-3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107537285
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80539787
4-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 103083344
4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685798
4-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685803
2-amino-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 119342802
4-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107502115
5-[(1R)-1-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 124829552

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The IUPAC name of 4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (CID 104685789) is 4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.
What is the SMILES notation for 4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The canonical SMILES for 4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is COc1ccccc1-c1noc(C(C)CCCN)n1.
What is the InChIKey of 4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The InChIKey is IXSYINOUCARFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(6-5-9-15)14-16-13(17-19-14)11-7-3-4-8-12(11)18-2/h3-4,7-8,10H,5-6,9,15H2,1-2H3.
What are the key properties of 4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
4-[3-(2-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-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is sourced from PubChem (CID 104685789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).