N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine

C17H15N3O4 — CID 53299062

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
SMILESCOc1cccc(-c2noc(Nc3ccc4c(c3)OCCO4)n2)c1
InChIInChI=1S/C17H15N3O4/c1-21-13-4-2-3-11(9-13)16-19-17(24-20-16)18-12-5-6-14-15(10-12)23-8-7-22-14/h2-6,9-10H,7-8H2,1H3,(H,18,19,20)
InChIKeyYVXUUEANAPUISD-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.26
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine (PubChem CID 53299062) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
PubChem CID53299062
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
SMILESCOc1cccc(-c2noc(Nc3ccc4c(c3)OCCO4)n2)c1
InChIInChI=1S/C17H15N3O4/c1-21-13-4-2-3-11(9-13)16-19-17(24-20-16)18-12-5-6-14-15(10-12)23-8-7-22-14/h2-6,9-10H,7-8H2,1H3,(H,18,19,20)
InChIKeyYVXUUEANAPUISD-UHFFFAOYSA-N
XLogP3.26
TPSA78.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 71686712
3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 20952768
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930640
3-(3-methoxyphenyl)-N-(3-methylbutyl)-1,2,4-oxadiazol-5-amine
CID 46342240
N-cycloheptyl-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342228
2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 112904653
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine
CID 71447602
(2S)-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]propanoic acid
CID 167843922
1-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]phenyl]ethanone
CID 20952694
3-(3-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 46342235
methyl N-[4-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]carbamate
CID 133317526
3-(3-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]-1,2,4-oxadiazol-5-amine
CID 133319455

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine (CID 53299062) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine is COc1cccc(-c2noc(Nc3ccc4c(c3)OCCO4)n2)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is YVXUUEANAPUISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-21-13-4-2-3-11(9-13)16-19-17(24-20-16)18-12-5-6-14-15(10-12)23-8-7-22-14/h2-6,9-10H,7-8H2,1H3,(H,18,19,20).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 325.32 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 53299062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).