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

C16H17N3OS — CID 61406799

IUPAC1-[5-(1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
SMILESNC1(c2noc(-c3cc4ccccc4s3)n2)CCCCC1
InChIInChI=1S/C16H17N3OS/c17-16(8-4-1-5-9-16)15-18-14(20-19-15)13-10-11-6-2-3-7-12(11)21-13/h2-3,6-7,10H,1,4-5,8-9,17H2
InChIKeyUQKFCTYNGIGNPG-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.07
Rot. Bonds2

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

1-[5-(1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine (PubChem CID 61406799) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 1-[5-(1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[5-(1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
PubChem CID61406799
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name1-[5-(1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
SMILESNC1(c2noc(-c3cc4ccccc4s3)n2)CCCCC1
InChIInChI=1S/C16H17N3OS/c17-16(8-4-1-5-9-16)15-18-14(20-19-15)13-10-11-6-2-3-7-12(11)21-13/h2-3,6-7,10H,1,4-5,8-9,17H2
InChIKeyUQKFCTYNGIGNPG-UHFFFAOYSA-N
XLogP4.07
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(4,5-dibromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 80538961
1-[5-(4,5-dimethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 65238308
1-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855729
1-[5-(thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 65215428
1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860894
3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2H-isoquinolin-1-one;hydrochloride
CID 120852980
1-[5-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853372
5-(1-benzothiophen-2-yl)-3-chloro-1,2,4-oxadiazole
CID 112571951
1-[5-(2-benzyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120853711
1-[5-(5-nitrothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859392
3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]chromen-2-one;hydrochloride
CID 120855673
1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120857310

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The IUPAC name of 1-[5-(1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine (CID 61406799) is 1-[5-(1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine.
What is the SMILES notation for 1-[5-(1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The canonical SMILES for 1-[5-(1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine is NC1(c2noc(-c3cc4ccccc4s3)n2)CCCCC1.
What is the InChIKey of 1-[5-(1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The InChIKey is UQKFCTYNGIGNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c17-16(8-4-1-5-9-16)15-18-14(20-19-15)13-10-11-6-2-3-7-12(11)21-13/h2-3,6-7,10H,1,4-5,8-9,17H2.
What are the key properties of 1-[5-(1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
1-[5-(1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine has a molecular weight of 299.40 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine is sourced from PubChem (CID 61406799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).