1-[5-(2,5-dichlorothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine

C12H13Cl2N3OS — CID 107965364

IUPAC1-[5-(2,5-dichlorothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
SMILESNC1(c2noc(-c3cc(Cl)sc3Cl)n2)CCCCC1
InChIInChI=1S/C12H13Cl2N3OS/c13-8-6-7(9(14)19-8)10-16-11(17-18-10)12(15)4-2-1-3-5-12/h6H,1-5,15H2
InChIKeyORZPYVNZCTTXIB-UHFFFAOYSA-N
MW318.23 g/mol
LogP4.22
Rot. Bonds2

About 1-[5-(2,5-dichlorothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine

1-[5-(2,5-dichlorothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine (PubChem CID 107965364) has the molecular formula C12H13Cl2N3OS and a molecular weight of 318.23 g/mol. Its IUPAC name is 1-[5-(2,5-dichlorothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[5-(2,5-dichlorothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
PubChem CID107965364
Molecular FormulaC12H13Cl2N3OS
Molecular Weight318.23 g/mol
Exact Mass317.02
IUPAC Name1-[5-(2,5-dichlorothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
SMILESNC1(c2noc(-c3cc(Cl)sc3Cl)n2)CCCCC1
InChIInChI=1S/C12H13Cl2N3OS/c13-8-6-7(9(14)19-8)10-16-11(17-18-10)12(15)4-2-1-3-5-12/h6H,1-5,15H2
InChIKeyORZPYVNZCTTXIB-UHFFFAOYSA-N
XLogP4.22
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.23
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 106689441
1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61351934
1-[5-(2-chloro-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 81462151
1-[5-(2,4-dichloro-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862076
1-[5-(4,5-dimethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 65238308
1-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61354336
1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61354112
1-[5-(4,5-dibromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 80538961
1-[5-(2-chloro-4-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120850939
1-[5-(2-chloro-5-iodophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860016
1-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61353693
1-[5-(thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 65215428

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,5-dichlorothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The IUPAC name of 1-[5-(2,5-dichlorothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine (CID 107965364) is 1-[5-(2,5-dichlorothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine.
What is the SMILES notation for 1-[5-(2,5-dichlorothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The canonical SMILES for 1-[5-(2,5-dichlorothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine is NC1(c2noc(-c3cc(Cl)sc3Cl)n2)CCCCC1.
What is the InChIKey of 1-[5-(2,5-dichlorothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The InChIKey is ORZPYVNZCTTXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3OS/c13-8-6-7(9(14)19-8)10-16-11(17-18-10)12(15)4-2-1-3-5-12/h6H,1-5,15H2.
What are the key properties of 1-[5-(2,5-dichlorothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
1-[5-(2,5-dichlorothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine has a molecular weight of 318.23 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,5-dichlorothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine is sourced from PubChem (CID 107965364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).