1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol

C12H16N2O2S — CID 55221760

IUPAC1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
SMILESCCCC(O)Cc1nc(Cc2cccs2)no1
InChIInChI=1S/C12H16N2O2S/c1-2-4-9(15)7-12-13-11(14-16-12)8-10-5-3-6-17-10/h3,5-6,9,15H,2,4,7-8H2,1H3
InChIKeyDDRCANSFUPOZRZ-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.43
Rot. Bonds6

About 1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol

1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol (PubChem CID 55221760) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol.

Molecular Properties

Compound Name1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
PubChem CID55221760
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
SMILESCCCC(O)Cc1nc(Cc2cccs2)no1
InChIInChI=1S/C12H16N2O2S/c1-2-4-9(15)7-12-13-11(14-16-12)8-10-5-3-6-17-10/h3,5-6,9,15H,2,4,7-8H2,1H3
InChIKeyDDRCANSFUPOZRZ-UHFFFAOYSA-N
XLogP2.43
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol with MolForge

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Related Compounds

1-methoxy-3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 63345709
3,3-dimethyl-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63352397
3-methyl-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 63344735
3-methyl-4-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106524476
1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63349735
[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660341
3-[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propanoic acid
CID 115079627
5-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentanoic acid
CID 62502007
(1R)-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 94458021
1-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 65141561
5-(diethoxymethyl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 55243059
1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63349444

Frequently Asked Questions

What is the IUPAC name of 1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The IUPAC name of 1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol (CID 55221760) is 1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol.
What is the SMILES notation for 1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The canonical SMILES for 1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol is CCCC(O)Cc1nc(Cc2cccs2)no1.
What is the InChIKey of 1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The InChIKey is DDRCANSFUPOZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-2-4-9(15)7-12-13-11(14-16-12)8-10-5-3-6-17-10/h3,5-6,9,15H,2,4,7-8H2,1H3.
What are the key properties of 1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol has a molecular weight of 252.34 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol is sourced from PubChem (CID 55221760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).