N-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine

C14H19N3O2 — CID 60881788

IUPACN-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine
SMILESCc1nc(COc2ccccc2CNC(C)C)no1
InChIInChI=1S/C14H19N3O2/c1-10(2)15-8-12-6-4-5-7-13(12)18-9-14-16-11(3)19-17-14/h4-7,10,15H,8-9H2,1-3H3
InChIKeyAFQSLNJUMGYLHY-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.46
Rot. Bonds6

About N-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine

N-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine (PubChem CID 60881788) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine
PubChem CID60881788
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine
SMILESCc1nc(COc2ccccc2CNC(C)C)no1
InChIInChI=1S/C14H19N3O2/c1-10(2)15-8-12-6-4-5-7-13(12)18-9-14-16-11(3)19-17-14/h4-7,10,15H,8-9H2,1-3H3
InChIKeyAFQSLNJUMGYLHY-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
CID 60881221
1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 43503950
1-(2-ethoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 113248221
N-[[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 63057157
(1R)-1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-1-ol
CID 63365311
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine
CID 107234132
N-[[2-[(4-ethylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 63500787
1-(2-ethoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 103913111
N-[[2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 63058170
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
N-[[2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 62198279
N-[(2-prop-2-ynoxyphenyl)methyl]propan-2-amine
CID 28610201

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine (CID 60881788) is N-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine is Cc1nc(COc2ccccc2CNC(C)C)no1.
What is the InChIKey of N-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine?
The InChIKey is AFQSLNJUMGYLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(2)15-8-12-6-4-5-7-13(12)18-9-14-16-11(3)19-17-14/h4-7,10,15H,8-9H2,1-3H3.
What are the key properties of N-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine?
N-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine has a molecular weight of 261.32 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 60881788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).