2-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine

C12H14ClN3O2 — CID 61325269

IUPAC2-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCOc1ccc(Cl)cc1-c1nc(C(C)(C)N)no1
InChIInChI=1S/C12H14ClN3O2/c1-12(2,14)11-15-10(18-16-11)8-6-7(13)4-5-9(8)17-3/h4-6H,14H2,1-3H3
InChIKeyZLDOYIRBJZDRGY-UHFFFAOYSA-N
MW267.72 g/mol
LogP2.59
Rot. Bonds3

About 2-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine

2-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 61325269) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 2-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name2-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID61325269
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name2-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCOc1ccc(Cl)cc1-c1nc(C(C)(C)N)no1
InChIInChI=1S/C12H14ClN3O2/c1-12(2,14)11-15-10(18-16-11)8-6-7(13)4-5-9(8)17-3/h4-6H,14H2,1-3H3
InChIKeyZLDOYIRBJZDRGY-UHFFFAOYSA-N
XLogP2.59
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 61325495
1-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61353693
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-4-chloroaniline
CID 29269319
3-[5-(2-methoxy-5-methylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 62505441
2-[5-(5-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 61325051
5-(2-bromophenyl)-3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazole
CID 19332501
3-(5-chloro-2-methoxyphenyl)-5-(2-iodophenyl)-1,2,4-oxadiazole
CID 19332463
4-chloro-2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116704550
2-[5-(3-chloro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 81325124
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-4,5-dimethoxyaniline
CID 29279587
5-(5-chloro-2-methoxyphenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
CID 936656
2-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 61325497

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 2-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 61325269) is 2-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 2-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 2-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is COc1ccc(Cl)cc1-c1nc(C(C)(C)N)no1.
What is the InChIKey of 2-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is ZLDOYIRBJZDRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-12(2,14)11-15-10(18-16-11)8-6-7(13)4-5-9(8)17-3/h4-6H,14H2,1-3H3.
What are the key properties of 2-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
2-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 267.72 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 61325269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).