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

C14H19N3O2S — CID 63349394

IUPAC2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol
SMILESCc1nc(Cc2noc(C3CCCCCC3O)n2)cs1
InChIInChI=1S/C14H19N3O2S/c1-9-15-10(8-20-9)7-13-16-14(19-17-13)11-5-3-2-4-6-12(11)18/h8,11-12,18H,2-7H2,1H3
InChIKeyQCBSDBQSZNXRHZ-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.83
Rot. Bonds3

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

2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol (PubChem CID 63349394) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol
PubChem CID63349394
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol
SMILESCc1nc(Cc2noc(C3CCCCCC3O)n2)cs1
InChIInChI=1S/C14H19N3O2S/c1-9-15-10(8-20-9)7-13-16-14(19-17-13)11-5-3-2-4-6-12(11)18/h8,11-12,18H,2-7H2,1H3
InChIKeyQCBSDBQSZNXRHZ-UHFFFAOYSA-N
XLogP2.83
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.83
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]cycloheptan-1-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]cyclopentan-1-amine
CID 63352407
3-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900529
3-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole
CID 62797882
2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63345076
2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 79085278
2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol
CID 65129782
2-[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol
CID 63345954
2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63349124
(1S)-2-cyclopropyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 112734864
2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
CID 63349231
N-methyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 62800359
1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63349527

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]cycloheptan-1-ol?
The IUPAC name of 2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol (CID 63349394) is 2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol.
What is the SMILES notation for 2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol?
The canonical SMILES for 2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol is Cc1nc(Cc2noc(C3CCCCCC3O)n2)cs1.
What is the InChIKey of 2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol?
The InChIKey is QCBSDBQSZNXRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-9-15-10(8-20-9)7-13-16-14(19-17-13)11-5-3-2-4-6-12(11)18/h8,11-12,18H,2-7H2,1H3.
What are the key properties of 2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol?
2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol has a molecular weight of 293.39 g/mol, XLogP of 2.83, 3 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]cycloheptan-1-ol is sourced from PubChem (CID 63349394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).