2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentylamino]ethanol

C14H18BrN3O2S — CID 62013889

IUPAC2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentylamino]ethanol
SMILESOCCN(Cc1nnc(-c2ccc(Br)s2)o1)C1CCCC1
InChIInChI=1S/C14H18BrN3O2S/c15-12-6-5-11(21-12)14-17-16-13(20-14)9-18(7-8-19)10-3-1-2-4-10/h5-6,10,19H,1-4,7-9H2
InChIKeyKHTONFGXFXCPMX-UHFFFAOYSA-N
MW372.29 g/mol
LogP3.30
Rot. Bonds6

About 2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentylamino]ethanol

2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentylamino]ethanol (PubChem CID 62013889) has the molecular formula C14H18BrN3O2S and a molecular weight of 372.29 g/mol. Its IUPAC name is 2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentylamino]ethanol.

Molecular Properties

Compound Name2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentylamino]ethanol
PubChem CID62013889
Molecular FormulaC14H18BrN3O2S
Molecular Weight372.29 g/mol
Exact Mass371.03
IUPAC Name2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentylamino]ethanol
SMILESOCCN(Cc1nnc(-c2ccc(Br)s2)o1)C1CCCC1
InChIInChI=1S/C14H18BrN3O2S/c15-12-6-5-11(21-12)14-17-16-13(20-14)9-18(7-8-19)10-3-1-2-4-10/h5-6,10,19H,1-4,7-9H2
InChIKeyKHTONFGXFXCPMX-UHFFFAOYSA-N
XLogP3.30
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.29
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentylamino]ethanol?
The IUPAC name of 2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentylamino]ethanol (CID 62013889) is 2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentylamino]ethanol.
What is the SMILES notation for 2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentylamino]ethanol?
The canonical SMILES for 2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentylamino]ethanol is OCCN(Cc1nnc(-c2ccc(Br)s2)o1)C1CCCC1.
What is the InChIKey of 2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentylamino]ethanol?
The InChIKey is KHTONFGXFXCPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2S/c15-12-6-5-11(21-12)14-17-16-13(20-14)9-18(7-8-19)10-3-1-2-4-10/h5-6,10,19H,1-4,7-9H2.
What are the key properties of 2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentylamino]ethanol?
2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentylamino]ethanol has a molecular weight of 372.29 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentylamino]ethanol is sourced from PubChem (CID 62013889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).