1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(oxan-2-ylmethyl)ethanamine

C17H22ClN3O2 — CID 127386626

IUPAC1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(oxan-2-ylmethyl)ethanamine
SMILESCC(c1nnc(-c2cccc(Cl)c2)o1)N(C)CC1CCCCO1
InChIInChI=1S/C17H22ClN3O2/c1-12(21(2)11-15-8-3-4-9-22-15)16-19-20-17(23-16)13-6-5-7-14(18)10-13/h5-7,10,12,15H,3-4,8-9,11H2,1-2H3
InChIKeyRSYJVTDCOWJJSZ-UHFFFAOYSA-N
MW335.84 g/mol
LogP3.95
Rot. Bonds5

About 1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(oxan-2-ylmethyl)ethanamine

1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(oxan-2-ylmethyl)ethanamine (PubChem CID 127386626) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is 1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(oxan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(oxan-2-ylmethyl)ethanamine
PubChem CID127386626
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC Name1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(oxan-2-ylmethyl)ethanamine
SMILESCC(c1nnc(-c2cccc(Cl)c2)o1)N(C)CC1CCCCO1
InChIInChI=1S/C17H22ClN3O2/c1-12(21(2)11-15-8-3-4-9-22-15)16-19-20-17(23-16)13-6-5-7-14(18)10-13/h5-7,10,12,15H,3-4,8-9,11H2,1-2H3
InChIKeyRSYJVTDCOWJJSZ-UHFFFAOYSA-N
XLogP3.95
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine
CID 47012873
(1S)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-[2-(2-methylphenoxy)ethyl]ethanamine
CID 52520727
2-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 55410520
4-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylmorpholine
CID 51294713
3-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]-2-methylpropan-1-ol
CID 111542528
(1R)-1-(3-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 81372258
(2R,6S)-4-[(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2,6-dimethylmorpholine
CID 29241115
2-(3-chlorophenyl)-5-(oxolan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile
CID 4646747
2-(3-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methylamino]-1,3-oxazole-4-carbonitrile
CID 943094
[(1S)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 8595463
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 138997237
[(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] acetate
CID 44605913

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(oxan-2-ylmethyl)ethanamine?
The IUPAC name of 1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(oxan-2-ylmethyl)ethanamine (CID 127386626) is 1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(oxan-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(oxan-2-ylmethyl)ethanamine?
The canonical SMILES for 1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(oxan-2-ylmethyl)ethanamine is CC(c1nnc(-c2cccc(Cl)c2)o1)N(C)CC1CCCCO1.
What is the InChIKey of 1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(oxan-2-ylmethyl)ethanamine?
The InChIKey is RSYJVTDCOWJJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c1-12(21(2)11-15-8-3-4-9-22-15)16-19-20-17(23-16)13-6-5-7-14(18)10-13/h5-7,10,12,15H,3-4,8-9,11H2,1-2H3.
What are the key properties of 1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(oxan-2-ylmethyl)ethanamine?
1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(oxan-2-ylmethyl)ethanamine has a molecular weight of 335.84 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(oxan-2-ylmethyl)ethanamine is sourced from PubChem (CID 127386626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).