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

C14H18ClN3O2 — CID 60880891

IUPACN-[[5-chloro-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)ccc1OCc1nnc(CC)o1
InChIInChI=1S/C14H18ClN3O2/c1-3-13-17-18-14(20-13)9-19-12-6-5-11(15)7-10(12)8-16-4-2/h5-7,16H,3-4,8-9H2,1-2H3
InChIKeyNQHZGALVGZHJHX-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.97
Rot. Bonds7

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

N-[[5-chloro-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine (PubChem CID 60880891) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is N-[[5-chloro-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine
PubChem CID60880891
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC NameN-[[5-chloro-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)ccc1OCc1nnc(CC)o1
InChIInChI=1S/C14H18ClN3O2/c1-3-13-17-18-14(20-13)9-19-12-6-5-11(15)7-10(12)8-16-4-2/h5-7,16H,3-4,8-9H2,1-2H3
InChIKeyNQHZGALVGZHJHX-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[5-chloro-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine (CID 60880891) is N-[[5-chloro-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-chloro-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[5-chloro-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine is CCNCc1cc(Cl)ccc1OCc1nnc(CC)o1.
What is the InChIKey of N-[[5-chloro-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is NQHZGALVGZHJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-3-13-17-18-14(20-13)9-19-12-6-5-11(15)7-10(12)8-16-4-2/h5-7,16H,3-4,8-9H2,1-2H3.
What are the key properties of N-[[5-chloro-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine?
N-[[5-chloro-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine has a molecular weight of 295.77 g/mol, XLogP of 2.97, 7 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]ethanamine is sourced from PubChem (CID 60880891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).