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

C14H13ClN4OS — CID 107315488

IUPAC(R)-(2-chlorophenyl)-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCc1nc(Cc2noc([C@H](N)c3ccccc3Cl)n2)cs1
InChIInChI=1S/C14H13ClN4OS/c1-8-17-9(7-21-8)6-12-18-14(20-19-12)13(16)10-4-2-3-5-11(10)15/h2-5,7,13H,6,16H2,1H3/t13-/m1/s1
InChIKeyIOHQLSCZQJIAFC-CYBMUJFWSA-N
MW320.81 g/mol
LogP3.13
Rot. Bonds4

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

(R)-(2-chlorophenyl)-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 107315488) has the molecular formula C14H13ClN4OS and a molecular weight of 320.81 g/mol. Its IUPAC name is (R)-(2-chlorophenyl)-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name(R)-(2-chlorophenyl)-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID107315488
Molecular FormulaC14H13ClN4OS
Molecular Weight320.81 g/mol
Exact Mass320.05
IUPAC Name(R)-(2-chlorophenyl)-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCc1nc(Cc2noc([C@H](N)c3ccccc3Cl)n2)cs1
InChIInChI=1S/C14H13ClN4OS/c1-8-17-9(7-21-8)6-12-18-14(20-19-12)13(16)10-4-2-3-5-11(10)15/h2-5,7,13H,6,16H2,1H3/t13-/m1/s1
InChIKeyIOHQLSCZQJIAFC-CYBMUJFWSA-N
XLogP3.13
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.81
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[(R)-amino-(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 107315627
N-methyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 62800359
(R)-(2-chlorophenyl)-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 107315560
(1S)-2-cyclopropyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 112734864
(2-chlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105099807
1-(2-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 62798973
(R)-(2-chlorophenyl)-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 107315682
2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 63562186
N-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 63561260
ethyl 2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]butanoate
CID 79474595
(R)-(2-chlorophenyl)-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 107315425
(1R)-1-(2-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 28781310

Frequently Asked Questions

What is the IUPAC name of (R)-(2-chlorophenyl)-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of (R)-(2-chlorophenyl)-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine (CID 107315488) is (R)-(2-chlorophenyl)-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for (R)-(2-chlorophenyl)-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for (R)-(2-chlorophenyl)-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine is Cc1nc(Cc2noc([C@H](N)c3ccccc3Cl)n2)cs1.
What is the InChIKey of (R)-(2-chlorophenyl)-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is IOHQLSCZQJIAFC-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H13ClN4OS/c1-8-17-9(7-21-8)6-12-18-14(20-19-12)13(16)10-4-2-3-5-11(10)15/h2-5,7,13H,6,16H2,1H3/t13-/m1/s1.
What are the key properties of (R)-(2-chlorophenyl)-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
(R)-(2-chlorophenyl)-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 320.81 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(2-chlorophenyl)-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 107315488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).