1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine

C18H18N4O3 — CID 70761731

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCN(Cc1ccc2c(c1)OCCO2)Cc1nc(-c2ccccn2)no1
InChIInChI=1S/C18H18N4O3/c1-22(11-13-5-6-15-16(10-13)24-9-8-23-15)12-17-20-18(21-25-17)14-4-2-3-7-19-14/h2-7,10H,8-9,11-12H2,1H3
InChIKeyIQNYFTISJDOBAW-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.53
Rot. Bonds5

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine (PubChem CID 70761731) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
PubChem CID70761731
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCN(Cc1ccc2c(c1)OCCO2)Cc1nc(-c2ccccn2)no1
InChIInChI=1S/C18H18N4O3/c1-22(11-13-5-6-15-16(10-13)24-9-8-23-15)12-17-20-18(21-25-17)14-4-2-3-7-19-14/h2-7,10H,8-9,11-12H2,1H3
InChIKeyIQNYFTISJDOBAW-UHFFFAOYSA-N
XLogP2.53
TPSA73.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 8924238
N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine
CID 139006304
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine
CID 56811259
N-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-(2,1,3-benzoxadiazol-5-yl)-N-methylmethanamine
CID 42244756
1-(3,4-dichlorophenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 9251541
N,2,2,6,6-pentamethyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 42191280
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 155946190
5-(3-methylbutyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 154530032
5-ethyl-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-oxazole-4-carboxamide
CID 70740997
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide
CID 154837830
5-butyl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 26772271
1-(3,4-dimethoxyphenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 9058292

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine (CID 70761731) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine is CN(Cc1ccc2c(c1)OCCO2)Cc1nc(-c2ccccn2)no1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The InChIKey is IQNYFTISJDOBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-22(11-13-5-6-15-16(10-13)24-9-8-23-15)12-17-20-18(21-25-17)14-4-2-3-7-19-14/h2-7,10H,8-9,11-12H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine has a molecular weight of 338.37 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 70761731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).