3-(3-methoxyphenyl)-N-(3-methylbutyl)-1,2,4-oxadiazol-5-amine

C14H19N3O2 — CID 46342240

IUPAC3-(3-methoxyphenyl)-N-(3-methylbutyl)-1,2,4-oxadiazol-5-amine
SMILESCOc1cccc(-c2noc(NCCC(C)C)n2)c1
InChIInChI=1S/C14H19N3O2/c1-10(2)7-8-15-14-16-13(17-19-14)11-5-4-6-12(9-11)18-3/h4-6,9-10H,7-8H2,1-3H3,(H,15,16,17)
InChIKeyKQVCQDHOXIIPGR-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.20
Rot. Bonds6

About 3-(3-methoxyphenyl)-N-(3-methylbutyl)-1,2,4-oxadiazol-5-amine

3-(3-methoxyphenyl)-N-(3-methylbutyl)-1,2,4-oxadiazol-5-amine (PubChem CID 46342240) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-(3-methylbutyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-(3-methylbutyl)-1,2,4-oxadiazol-5-amine
PubChem CID46342240
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-(3-methoxyphenyl)-N-(3-methylbutyl)-1,2,4-oxadiazol-5-amine
SMILESCOc1cccc(-c2noc(NCCC(C)C)n2)c1
InChIInChI=1S/C14H19N3O2/c1-10(2)7-8-15-14-16-13(17-19-14)11-5-4-6-12(9-11)18-3/h4-6,9-10H,7-8H2,1-3H3,(H,15,16,17)
InChIKeyKQVCQDHOXIIPGR-UHFFFAOYSA-N
XLogP3.20
TPSA60.18 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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342229
3-(3-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 46342235
N-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342231
3-(3-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]-1,2,4-oxadiazol-5-amine
CID 133319455
(1R)-1-[1-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]cyclopropyl]-2-methylpropan-1-ol
CID 97258783
(2S)-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]propanoic acid
CID 167843922
3-(3-methoxyphenyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1,2,4-oxadiazol-5-amine
CID 133346672
3-(3-methoxyphenyl)-N-[(4-pyridin-3-ylphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 133332822
N-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 71686712
2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]-1-(1-methylpyrazol-4-yl)ethanol
CID 133323581
methyl N-[4-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]carbamate
CID 133317526
N-cycloheptyl-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342228

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-(3-methylbutyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(3-methoxyphenyl)-N-(3-methylbutyl)-1,2,4-oxadiazol-5-amine (CID 46342240) is 3-(3-methoxyphenyl)-N-(3-methylbutyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-(3-methylbutyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(3-methoxyphenyl)-N-(3-methylbutyl)-1,2,4-oxadiazol-5-amine is COc1cccc(-c2noc(NCCC(C)C)n2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-(3-methylbutyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is KQVCQDHOXIIPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(2)7-8-15-14-16-13(17-19-14)11-5-4-6-12(9-11)18-3/h4-6,9-10H,7-8H2,1-3H3,(H,15,16,17).
What are the key properties of 3-(3-methoxyphenyl)-N-(3-methylbutyl)-1,2,4-oxadiazol-5-amine?
3-(3-methoxyphenyl)-N-(3-methylbutyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 261.32 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-(3-methylbutyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 46342240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).