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

C14H18ClN3O2 — CID 115953089

IUPACN-[[3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(Cl)c1OCc1noc(C)n1
InChIInChI=1S/C14H18ClN3O2/c1-3-7-16-8-11-5-4-6-12(15)14(11)19-9-13-17-10(2)20-18-13/h4-6,16H,3,7-9H2,1-2H3
InChIKeyATJFLSWKCYHNSE-UHFFFAOYSA-N
MW295.77 g/mol
LogP3.11
Rot. Bonds7

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

N-[[3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine (PubChem CID 115953089) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is N-[[3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
PubChem CID115953089
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC NameN-[[3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(Cl)c1OCc1noc(C)n1
InChIInChI=1S/C14H18ClN3O2/c1-3-7-16-8-11-5-4-6-12(15)14(11)19-9-13-17-10(2)20-18-13/h4-6,16H,3,7-9H2,1-2H3
InChIKeyATJFLSWKCYHNSE-UHFFFAOYSA-N
XLogP3.11
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Related Compounds

N-[[3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 115954899
N-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
CID 60881221
[3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 112607605
N-[[3-chloro-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine
CID 115953214
N-[[3-fluoro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 112609536
N-[[3,5-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
CID 60879692
N-[[3-chloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 112609244
N-[[2-chloro-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 114320143
3-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2,4-oxadiazole
CID 78953139
N-[(2-but-2-ynoxy-3-chlorophenyl)methyl]propan-1-amine
CID 112609473
N-[[3-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 115952978
N-[(3-chloro-2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 112609432

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine (CID 115953089) is N-[[3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine is CCCNCc1cccc(Cl)c1OCc1noc(C)n1.
What is the InChIKey of N-[[3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine?
The InChIKey is ATJFLSWKCYHNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-3-7-16-8-11-5-4-6-12(15)14(11)19-9-13-17-10(2)20-18-13/h4-6,16H,3,7-9H2,1-2H3.
What are the key properties of N-[[3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine?
N-[[3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine has a molecular weight of 295.77 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 115953089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).