(R)-(2-chlorophenyl)-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine

C16H14ClN3O — CID 107315425

IUPAC(R)-(2-chlorophenyl)-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCc1ccccc1-c1noc([C@H](N)c2ccccc2Cl)n1
InChIInChI=1S/C16H14ClN3O/c1-10-6-2-3-7-11(10)15-19-16(21-20-15)14(18)12-8-4-5-9-13(12)17/h2-9,14H,18H2,1H3/t14-/m1/s1
InChIKeyTVVKAEDCRBHXSP-CQSZACIVSA-N
MW299.76 g/mol
LogP3.75
Rot. Bonds3

About (R)-(2-chlorophenyl)-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine

(R)-(2-chlorophenyl)-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 107315425) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is (R)-(2-chlorophenyl)-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name(R)-(2-chlorophenyl)-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID107315425
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name(R)-(2-chlorophenyl)-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCc1ccccc1-c1noc([C@H](N)c2ccccc2Cl)n1
InChIInChI=1S/C16H14ClN3O/c1-10-6-2-3-7-11(10)15-19-16(21-20-15)14(18)12-8-4-5-9-13(12)17/h2-9,14H,18H2,1H3/t14-/m1/s1
InChIKeyTVVKAEDCRBHXSP-CQSZACIVSA-N
XLogP3.75
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-2,2-dimethyl-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 93057373
(R)-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-(2-chlorophenyl)methanamine
CID 107315622
2-[5-[(R)-amino-(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 107315627
3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63347498
(1S,2R)-1-amino-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 94352485
(1S)-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565281
(S)-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898630
(R)-(2-chlorophenyl)-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 107315560
5-(diethoxymethyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 63773018
(S)-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898760
(R)-(2-chlorophenyl)-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methanamine
CID 107315453
(R)-(2-chlorophenyl)-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 107315488

Frequently Asked Questions

What is the IUPAC name of (R)-(2-chlorophenyl)-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of (R)-(2-chlorophenyl)-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine (CID 107315425) is (R)-(2-chlorophenyl)-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for (R)-(2-chlorophenyl)-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for (R)-(2-chlorophenyl)-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine is Cc1ccccc1-c1noc([C@H](N)c2ccccc2Cl)n1.
What is the InChIKey of (R)-(2-chlorophenyl)-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is TVVKAEDCRBHXSP-CQSZACIVSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-10-6-2-3-7-11(10)15-19-16(21-20-15)14(18)12-8-4-5-9-13(12)17/h2-9,14H,18H2,1H3/t14-/m1/s1.
What are the key properties of (R)-(2-chlorophenyl)-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
(R)-(2-chlorophenyl)-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 299.76 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(2-chlorophenyl)-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 107315425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).