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

C14H10BrClN4O — CID 107315622

IUPAC(R)-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-(2-chlorophenyl)methanamine
SMILESN[C@@H](c1nc(-c2ncccc2Br)no1)c1ccccc1Cl
InChIInChI=1S/C14H10BrClN4O/c15-9-5-3-7-18-12(9)13-19-14(21-20-13)11(17)8-4-1-2-6-10(8)16/h1-7,11H,17H2/t11-/m1/s1
InChIKeySEVPJXVARYRKCH-LLVKDONJSA-N
MW365.62 g/mol
LogP3.60
Rot. Bonds3

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

(R)-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-(2-chlorophenyl)methanamine (PubChem CID 107315622) has the molecular formula C14H10BrClN4O and a molecular weight of 365.62 g/mol. Its IUPAC name is (R)-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-(2-chlorophenyl)methanamine.

Molecular Properties

Compound Name(R)-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-(2-chlorophenyl)methanamine
PubChem CID107315622
Molecular FormulaC14H10BrClN4O
Molecular Weight365.62 g/mol
Exact Mass363.97
IUPAC Name(R)-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-(2-chlorophenyl)methanamine
SMILESN[C@@H](c1nc(-c2ncccc2Br)no1)c1ccccc1Cl
InChIInChI=1S/C14H10BrClN4O/c15-9-5-3-7-18-12(9)13-19-14(21-20-13)11(17)8-4-1-2-6-10(8)16/h1-7,11H,17H2/t11-/m1/s1
InChIKeySEVPJXVARYRKCH-LLVKDONJSA-N
XLogP3.60
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.62
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (R)-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-(2-chlorophenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-2-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915947
[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine
CID 113398135
(R)-(2-chlorophenyl)-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 107315425
(1S)-2-amino-1-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 107837266
1-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 113398129
1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 103442618
[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 103445508
2-[5-[(R)-amino-(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 107315627
(R)-(2-chlorophenyl)-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methanamine
CID 107315453
3-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenol
CID 106503442
3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 103445438
2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 106109412

Frequently Asked Questions

What is the IUPAC name of (R)-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-(2-chlorophenyl)methanamine?
The IUPAC name of (R)-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-(2-chlorophenyl)methanamine (CID 107315622) is (R)-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-(2-chlorophenyl)methanamine.
What is the SMILES notation for (R)-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-(2-chlorophenyl)methanamine?
The canonical SMILES for (R)-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-(2-chlorophenyl)methanamine is N[C@@H](c1nc(-c2ncccc2Br)no1)c1ccccc1Cl.
What is the InChIKey of (R)-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-(2-chlorophenyl)methanamine?
The InChIKey is SEVPJXVARYRKCH-LLVKDONJSA-N. The full InChI is InChI=1S/C14H10BrClN4O/c15-9-5-3-7-18-12(9)13-19-14(21-20-13)11(17)8-4-1-2-6-10(8)16/h1-7,11H,17H2/t11-/m1/s1.
What are the key properties of (R)-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-(2-chlorophenyl)methanamine?
(R)-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-(2-chlorophenyl)methanamine has a molecular weight of 365.62 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-(2-chlorophenyl)methanamine is sourced from PubChem (CID 107315622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).