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

C12H14ClN3O — CID 103916398

IUPAC(1S)-1-(2-chlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
SMILESCc1nc(CN[C@@H](C)c2ccccc2Cl)no1
InChIInChI=1S/C12H14ClN3O/c1-8(10-5-3-4-6-11(10)13)14-7-12-15-9(2)17-16-12/h3-6,8,14H,7H2,1-2H3/t8-/m0/s1
InChIKeyWZCQHRJAMVGKLN-QMMMGPOBSA-N
MW251.72 g/mol
LogP2.88
Rot. Bonds4

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

(1S)-1-(2-chlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine (PubChem CID 103916398) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is (1S)-1-(2-chlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-chlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
PubChem CID103916398
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name(1S)-1-(2-chlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
SMILESCc1nc(CN[C@@H](C)c2ccccc2Cl)no1
InChIInChI=1S/C12H14ClN3O/c1-8(10-5-3-4-6-11(10)13)14-7-12-15-9(2)17-16-12/h3-6,8,14H,7H2,1-2H3/t8-/m0/s1
InChIKeyWZCQHRJAMVGKLN-QMMMGPOBSA-N
XLogP2.88
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 107911793
1-(2-ethoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 103913111
(1R)-1-(2-chlorophenyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 95156109
1-(2-chlorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol
CID 106398104
1-(3,4-dichlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 113350417
(1S)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 107911783
(1S)-1-(2-chlorophenyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine
CID 81378296
5-methyl-2-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]phenol
CID 114182895
1-(2,4-dibromophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 106391621
1-(2-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 54964828
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-phenylpropan-2-amine
CID 114015027
1-(2-methoxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 103931481

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-chlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-(2-chlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine (CID 103916398) is (1S)-1-(2-chlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(2-chlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(2-chlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine is Cc1nc(CN[C@@H](C)c2ccccc2Cl)no1.
What is the InChIKey of (1S)-1-(2-chlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The InChIKey is WZCQHRJAMVGKLN-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-8(10-5-3-4-6-11(10)13)14-7-12-15-9(2)17-16-12/h3-6,8,14H,7H2,1-2H3/t8-/m0/s1.
What are the key properties of (1S)-1-(2-chlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
(1S)-1-(2-chlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine has a molecular weight of 251.72 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-chlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 103916398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).