1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-3-methoxypropan-2-amine

C14H18ClN3O2 — CID 63347697

IUPAC1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-3-methoxypropan-2-amine
SMILESCCNC(COC)Cc1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C14H18ClN3O2/c1-3-16-12(9-19-2)8-13-17-14(18-20-13)10-5-4-6-11(15)7-10/h4-7,12,16H,3,8-9H2,1-2H3
InChIKeyTVLPTIHQMZLCTE-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.56
Rot. Bonds7

About 1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-3-methoxypropan-2-amine

1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-3-methoxypropan-2-amine (PubChem CID 63347697) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-3-methoxypropan-2-amine.

Molecular Properties

Compound Name1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-3-methoxypropan-2-amine
PubChem CID63347697
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-3-methoxypropan-2-amine
SMILESCCNC(COC)Cc1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C14H18ClN3O2/c1-3-16-12(9-19-2)8-13-17-14(18-20-13)10-5-4-6-11(15)7-10/h4-7,12,16H,3,8-9H2,1-2H3
InChIKeyTVLPTIHQMZLCTE-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-methoxy-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 55202602
N-ethyl-1-methoxy-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63348588
1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-propylpropan-2-amine
CID 63348511
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-ethylethanamine
CID 63347887
1-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine
CID 81492195
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 78807499
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 54924452
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-1-methoxypropan-2-yl]propanamide
CID 100757475
1-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-2-amine
CID 63350475
1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethyl-3-methoxypropan-2-amine
CID 63347485
4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutanenitrile
CID 106523876
N-ethyl-1-methoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 63347818

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-3-methoxypropan-2-amine?
The IUPAC name of 1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-3-methoxypropan-2-amine (CID 63347697) is 1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-3-methoxypropan-2-amine.
What is the SMILES notation for 1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-3-methoxypropan-2-amine?
The canonical SMILES for 1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-3-methoxypropan-2-amine is CCNC(COC)Cc1nc(-c2cccc(Cl)c2)no1.
What is the InChIKey of 1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-3-methoxypropan-2-amine?
The InChIKey is TVLPTIHQMZLCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-3-16-12(9-19-2)8-13-17-14(18-20-13)10-5-4-6-11(15)7-10/h4-7,12,16H,3,8-9H2,1-2H3.
What are the key properties of 1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-3-methoxypropan-2-amine?
1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-3-methoxypropan-2-amine has a molecular weight of 295.77 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-3-methoxypropan-2-amine is sourced from PubChem (CID 63347697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).