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

C13H16ClN3O — CID 95156109

IUPAC(1R)-1-(2-chlorophenyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCCc1noc(CN[C@H](C)c2ccccc2Cl)n1
InChIInChI=1S/C13H16ClN3O/c1-3-12-16-13(18-17-12)8-15-9(2)10-6-4-5-7-11(10)14/h4-7,9,15H,3,8H2,1-2H3/t9-/m1/s1
InChIKeyYBVKAHWQEBHMQH-SECBINFHSA-N
MW265.74 g/mol
LogP3.14
Rot. Bonds5

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

(1R)-1-(2-chlorophenyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (PubChem CID 95156109) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is (1R)-1-(2-chlorophenyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-chlorophenyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
PubChem CID95156109
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name(1R)-1-(2-chlorophenyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCCc1noc(CN[C@H](C)c2ccccc2Cl)n1
InChIInChI=1S/C13H16ClN3O/c1-3-12-16-13(18-17-12)8-15-9(2)10-6-4-5-7-11(10)14/h4-7,9,15H,3,8H2,1-2H3/t9-/m1/s1
InChIKeyYBVKAHWQEBHMQH-SECBINFHSA-N
XLogP3.14
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(2-chlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 103916398
1-(2-chlorophenyl)-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 86922549
1-(2-chlorophenyl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 78836003
1-(2-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 54964828
(2R)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylbutan-2-amine
CID 97184939
(1S)-1-(4-chlorophenyl)-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 95279758
(1S)-1-(2-chlorophenyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine
CID 81378296
1-(2-chlorophenyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 54883561
1-(2,4-dichlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 60719365
N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(2-fluorophenyl)ethanamine
CID 18088398
(1S)-1-(2-chlorophenyl)-N-[(1,3-diethylpyrazol-5-yl)methyl]ethanamine
CID 81378307
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(2-ethoxyphenyl)ethanamine;dihydrochloride
CID 155819724

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-chlorophenyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(2-chlorophenyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (CID 95156109) is (1R)-1-(2-chlorophenyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(2-chlorophenyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(2-chlorophenyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is CCc1noc(CN[C@H](C)c2ccccc2Cl)n1.
What is the InChIKey of (1R)-1-(2-chlorophenyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The InChIKey is YBVKAHWQEBHMQH-SECBINFHSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-3-12-16-13(18-17-12)8-15-9(2)10-6-4-5-7-11(10)14/h4-7,9,15H,3,8H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-1-(2-chlorophenyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
(1R)-1-(2-chlorophenyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine has a molecular weight of 265.74 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-chlorophenyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 95156109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).