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

C15H20ClN3O2 — CID 60880894

IUPACN-[[5-chloro-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(Cl)ccc1OCc1nnc(CC)o1
InChIInChI=1S/C15H20ClN3O2/c1-3-7-17-9-11-8-12(16)5-6-13(11)20-10-15-19-18-14(4-2)21-15/h5-6,8,17H,3-4,7,9-10H2,1-2H3
InChIKeyGTWVEPIQSOLESI-UHFFFAOYSA-N
MW309.80 g/mol
LogP3.36
Rot. Bonds8

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

N-[[5-chloro-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine (PubChem CID 60880894) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is N-[[5-chloro-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine
PubChem CID60880894
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC NameN-[[5-chloro-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(Cl)ccc1OCc1nnc(CC)o1
InChIInChI=1S/C15H20ClN3O2/c1-3-7-17-9-11-8-12(16)5-6-13(11)20-10-15-19-18-14(4-2)21-15/h5-6,8,17H,3-4,7,9-10H2,1-2H3
InChIKeyGTWVEPIQSOLESI-UHFFFAOYSA-N
XLogP3.36
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 53.36
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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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[5-chloro-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine (CID 60880894) is N-[[5-chloro-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-chloro-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-chloro-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine is CCCNCc1cc(Cl)ccc1OCc1nnc(CC)o1.
What is the InChIKey of N-[[5-chloro-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine?
The InChIKey is GTWVEPIQSOLESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-3-7-17-9-11-8-12(16)5-6-13(11)20-10-15-19-18-14(4-2)21-15/h5-6,8,17H,3-4,7,9-10H2,1-2H3.
What are the key properties of N-[[5-chloro-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine?
N-[[5-chloro-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine has a molecular weight of 309.80 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 60880894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).