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

C15H21N3O2 — CID 60882662

IUPACN-ethyl-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-amine
SMILESCCNC(CC)c1ccccc1OCc1nnc(C)o1
InChIInChI=1S/C15H21N3O2/c1-4-13(16-5-2)12-8-6-7-9-14(12)19-10-15-18-17-11(3)20-15/h6-9,13,16H,4-5,10H2,1-3H3
InChIKeyPSBMINBGVWBOCE-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.02
Rot. Bonds7

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

N-ethyl-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-amine (PubChem CID 60882662) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-ethyl-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-amine
PubChem CID60882662
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-ethyl-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-amine
SMILESCCNC(CC)c1ccccc1OCc1nnc(C)o1
InChIInChI=1S/C15H21N3O2/c1-4-13(16-5-2)12-8-6-7-9-14(12)19-10-15-18-17-11(3)20-15/h6-9,13,16H,4-5,10H2,1-3H3
InChIKeyPSBMINBGVWBOCE-UHFFFAOYSA-N
XLogP3.02
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-amine?
The IUPAC name of N-ethyl-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-amine (CID 60882662) is N-ethyl-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-amine.
What is the SMILES notation for N-ethyl-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-amine?
The canonical SMILES for N-ethyl-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-amine is CCNC(CC)c1ccccc1OCc1nnc(C)o1.
What is the InChIKey of N-ethyl-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-amine?
The InChIKey is PSBMINBGVWBOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-13(16-5-2)12-8-6-7-9-14(12)19-10-15-18-17-11(3)20-15/h6-9,13,16H,4-5,10H2,1-3H3.
What are the key properties of N-ethyl-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-amine?
N-ethyl-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-amine has a molecular weight of 275.35 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-amine is sourced from PubChem (CID 60882662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).