5-(1-benzothiophen-2-yl)-N-(oxolan-3-ylmethyl)-1,3,4-oxadiazol-2-amine

C15H15N3O2S — CID 167904184

IUPAC5-(1-benzothiophen-2-yl)-N-(oxolan-3-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESc1ccc2sc(-c3nnc(NCC4CCOC4)o3)cc2c1
InChIInChI=1S/C15H15N3O2S/c1-2-4-12-11(3-1)7-13(21-12)14-17-18-15(20-14)16-8-10-5-6-19-9-10/h1-4,7,10H,5-6,8-9H2,(H,16,18)
InChIKeyGVBMBDBPTKPNFN-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.40
Rot. Bonds4

About 5-(1-benzothiophen-2-yl)-N-(oxolan-3-ylmethyl)-1,3,4-oxadiazol-2-amine

5-(1-benzothiophen-2-yl)-N-(oxolan-3-ylmethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 167904184) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 5-(1-benzothiophen-2-yl)-N-(oxolan-3-ylmethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-benzothiophen-2-yl)-N-(oxolan-3-ylmethyl)-1,3,4-oxadiazol-2-amine
PubChem CID167904184
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name5-(1-benzothiophen-2-yl)-N-(oxolan-3-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESc1ccc2sc(-c3nnc(NCC4CCOC4)o3)cc2c1
InChIInChI=1S/C15H15N3O2S/c1-2-4-12-11(3-1)7-13(21-12)14-17-18-15(20-14)16-8-10-5-6-19-9-10/h1-4,7,10H,5-6,8-9H2,(H,16,18)
InChIKeyGVBMBDBPTKPNFN-UHFFFAOYSA-N
XLogP3.40
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(oxan-3-ylmethyl)-1,3-benzothiazol-2-amine
CID 47292416
6-N-(oxolan-3-ylmethyl)pyridine-2,6-diamine
CID 80646699
4-N-(oxolan-3-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 115915559
4-N-(oxolan-3-ylmethyl)benzene-1,4-diamine
CID 62824000
7-chloro-N-(oxolan-3-ylmethyl)-1,3-benzothiazol-2-amine
CID 62823828
N-[[(3S)-oxolan-3-yl]methyl]-1-phenyltetrazol-5-amine
CID 93422505
4-[5-(1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 61406569
N-(oxolan-3-ylmethyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106960664
2-tert-butyl-4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80958677
4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80825653
3-(oxolan-3-ylmethylamino)benzonitrile
CID 43194445
N-(oxan-4-ylmethyl)-1,3-benzoxazol-2-amine
CID 62351549

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-2-yl)-N-(oxolan-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-benzothiophen-2-yl)-N-(oxolan-3-ylmethyl)-1,3,4-oxadiazol-2-amine (CID 167904184) is 5-(1-benzothiophen-2-yl)-N-(oxolan-3-ylmethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-benzothiophen-2-yl)-N-(oxolan-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-benzothiophen-2-yl)-N-(oxolan-3-ylmethyl)-1,3,4-oxadiazol-2-amine is c1ccc2sc(-c3nnc(NCC4CCOC4)o3)cc2c1.
What is the InChIKey of 5-(1-benzothiophen-2-yl)-N-(oxolan-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is GVBMBDBPTKPNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-2-4-12-11(3-1)7-13(21-12)14-17-18-15(20-14)16-8-10-5-6-19-9-10/h1-4,7,10H,5-6,8-9H2,(H,16,18).
What are the key properties of 5-(1-benzothiophen-2-yl)-N-(oxolan-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
5-(1-benzothiophen-2-yl)-N-(oxolan-3-ylmethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 301.37 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophen-2-yl)-N-(oxolan-3-ylmethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 167904184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).