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

C14H19N3O2 — CID 60881221

IUPACN-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1OCc1noc(C)n1
InChIInChI=1S/C14H19N3O2/c1-3-8-15-9-12-6-4-5-7-13(12)18-10-14-16-11(2)19-17-14/h4-7,15H,3,8-10H2,1-2H3
InChIKeySEFCCDUPWBNNEW-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.46
Rot. Bonds7

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

N-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine (PubChem CID 60881221) 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-1-amine.

Molecular Properties

Compound NameN-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
PubChem CID60881221
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-1-amine
SMILESCCCNCc1ccccc1OCc1noc(C)n1
InChIInChI=1S/C14H19N3O2/c1-3-8-15-9-12-6-4-5-7-13(12)18-10-14-16-11(2)19-17-14/h4-7,15H,3,8-10H2,1-2H3
InChIKeySEFCCDUPWBNNEW-UHFFFAOYSA-N
XLogP2.46
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine
CID 60881788
N-[[3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
CID 115953089
1-(2-ethoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 113248221
N-[[2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 61495262
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine
CID 107234132
N-[(2-trimethylsilyloxyphenyl)methyl]propan-1-amine
CID 167723210
N-[[3,5-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
CID 60879692
N-[[2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]propan-1-amine
CID 107041124
N-[[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 63057157
N-[[2-[(2-ethylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 63496111
N-[[3-fluoro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 112609536
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 4716600

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine (CID 60881221) is N-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine is CCCNCc1ccccc1OCc1noc(C)n1.
What is the InChIKey of N-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine?
The InChIKey is SEFCCDUPWBNNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-8-15-9-12-6-4-5-7-13(12)18-10-14-16-11(2)19-17-14/h4-7,15H,3,8-10H2,1-2H3.
What are the key properties of N-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine?
N-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine has a molecular weight of 261.32 g/mol, XLogP of 2.46, 7 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-1-amine is sourced from PubChem (CID 60881221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).