2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-ol

C12H17N3O2S — CID 63562186

IUPAC2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-ol
SMILESCCC(O)C(C)c1nc(Cc2csc(C)n2)no1
InChIInChI=1S/C12H17N3O2S/c1-4-10(16)7(2)12-14-11(15-17-12)5-9-6-18-8(3)13-9/h6-7,10,16H,4-5H2,1-3H3
InChIKeyKNLVHDOTNXAGOM-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.30
Rot. Bonds5

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

2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-ol (PubChem CID 63562186) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-ol.

Molecular Properties

Compound Name2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-ol
PubChem CID63562186
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-ol
SMILESCCC(O)C(C)c1nc(Cc2csc(C)n2)no1
InChIInChI=1S/C12H17N3O2S/c1-4-10(16)7(2)12-14-11(15-17-12)5-9-6-18-8(3)13-9/h6-7,10,16H,4-5H2,1-3H3
InChIKeyKNLVHDOTNXAGOM-UHFFFAOYSA-N
XLogP2.30
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 63561260
N-methyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 62800359
ethyl 2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]butanoate
CID 79474595
1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63349527
(1S)-2-cyclopropyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 112734864
2-methyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 81073324
2-methyl-N-[[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 55228442
(R)-(2-chlorophenyl)-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 107315488
N-ethyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 55201469
2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 79964951
2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 63561817
1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63352239

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-ol?
The IUPAC name of 2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-ol (CID 63562186) is 2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-ol.
What is the SMILES notation for 2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-ol?
The canonical SMILES for 2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-ol is CCC(O)C(C)c1nc(Cc2csc(C)n2)no1.
What is the InChIKey of 2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-ol?
The InChIKey is KNLVHDOTNXAGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-4-10(16)7(2)12-14-11(15-17-12)5-9-6-18-8(3)13-9/h6-7,10,16H,4-5H2,1-3H3.
What are the key properties of 2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-ol?
2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-ol has a molecular weight of 267.35 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-ol is sourced from PubChem (CID 63562186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).