1-(2,1,3-benzoxadiazol-5-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylmethanamine

C14H15N5O2 — CID 31193804

IUPAC1-(2,1,3-benzoxadiazol-5-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylmethanamine
SMILESCN(Cc1ccc2nonc2c1)Cc1nc(C2CC2)no1
InChIInChI=1S/C14H15N5O2/c1-19(8-13-15-14(18-20-13)10-3-4-10)7-9-2-5-11-12(6-9)17-21-16-11/h2,5-6,10H,3-4,7-8H2,1H3
InChIKeyFWXBWCIQSYYRCL-UHFFFAOYSA-N
MW285.31 g/mol
LogP2.12
Rot. Bonds5

About 1-(2,1,3-benzoxadiazol-5-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylmethanamine

1-(2,1,3-benzoxadiazol-5-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylmethanamine (PubChem CID 31193804) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 1-(2,1,3-benzoxadiazol-5-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,1,3-benzoxadiazol-5-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylmethanamine
PubChem CID31193804
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name1-(2,1,3-benzoxadiazol-5-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylmethanamine
SMILESCN(Cc1ccc2nonc2c1)Cc1nc(C2CC2)no1
InChIInChI=1S/C14H15N5O2/c1-19(8-13-15-14(18-20-13)10-3-4-10)7-9-2-5-11-12(6-9)17-21-16-11/h2,5-6,10H,3-4,7-8H2,1H3
InChIKeyFWXBWCIQSYYRCL-UHFFFAOYSA-N
XLogP2.12
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 51076927
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-phenylmethanamine
CID 25453292
5-[[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]-2-hydroxybenzoic acid
CID 56703224
1-(2,1,3-benzoxadiazol-5-yl)-N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methylmethanamine
CID 77091567
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
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-(2-methylphenyl)methanamine
CID 51076501
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-quinoxalin-2-ylmethanamine
CID 91835446
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methanamine
CID 94032187
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine
CID 86923328
N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-cyclopropyl-N,4-dimethylpyrimidine-5-carboxamide
CID 50960897
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 86855997

Frequently Asked Questions

What is the IUPAC name of 1-(2,1,3-benzoxadiazol-5-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(2,1,3-benzoxadiazol-5-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylmethanamine (CID 31193804) is 1-(2,1,3-benzoxadiazol-5-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(2,1,3-benzoxadiazol-5-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(2,1,3-benzoxadiazol-5-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylmethanamine is CN(Cc1ccc2nonc2c1)Cc1nc(C2CC2)no1.
What is the InChIKey of 1-(2,1,3-benzoxadiazol-5-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylmethanamine?
The InChIKey is FWXBWCIQSYYRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-19(8-13-15-14(18-20-13)10-3-4-10)7-9-2-5-11-12(6-9)17-21-16-11/h2,5-6,10H,3-4,7-8H2,1H3.
What are the key properties of 1-(2,1,3-benzoxadiazol-5-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylmethanamine?
1-(2,1,3-benzoxadiazol-5-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylmethanamine has a molecular weight of 285.31 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,1,3-benzoxadiazol-5-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylmethanamine is sourced from PubChem (CID 31193804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).