3-[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxamide

C13H16N4O2S — CID 128599384

IUPAC3-[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxamide
SMILESCc1cnc(-c2noc(C3CCCC(C(N)=O)C3)n2)s1
InChIInChI=1S/C13H16N4O2S/c1-7-6-15-13(20-7)11-16-12(19-17-11)9-4-2-3-8(5-9)10(14)18/h6,8-9H,2-5H2,1H3,(H2,14,18)
InChIKeyCNPFDAIXRLXVFT-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.26
Rot. Bonds3

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

3-[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxamide (PubChem CID 128599384) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxamide
PubChem CID128599384
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name3-[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxamide
SMILESCc1cnc(-c2noc(C3CCCC(C(N)=O)C3)n2)s1
InChIInChI=1S/C13H16N4O2S/c1-7-6-15-13(20-7)11-16-12(19-17-11)9-4-2-3-8(5-9)10(14)18/h6,8-9H,2-5H2,1H3,(H2,14,18)
InChIKeyCNPFDAIXRLXVFT-UHFFFAOYSA-N
XLogP2.26
TPSA94.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-methyl-1,3-thiazol-2-yl)-5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-1,2,4-oxadiazole
CID 128599405
1-methyl-5-[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 136570434
3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552121
(3R)-1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxylic acid
CID 92863930
5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophene-2-carbaldehyde
CID 165487009
N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]pyridine-4-carboxamide
CID 53042375
3-(4-bromo-5-methylthiophen-2-yl)-5-cyclobutyl-1,2,4-oxadiazole
CID 165486283
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 61339415
(3S)-1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-cyclohexylpiperidine-3-carboxamide
CID 93068392
3-(aminomethyl)-6-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide
CID 68653905
3-(aminomethyl)-6-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide
CID 90974567
3-(2-methyl-1,3-thiazol-5-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 68926446

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxamide?
The IUPAC name of 3-[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxamide (CID 128599384) is 3-[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxamide is Cc1cnc(-c2noc(C3CCCC(C(N)=O)C3)n2)s1.
What is the InChIKey of 3-[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxamide?
The InChIKey is CNPFDAIXRLXVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-7-6-15-13(20-7)11-16-12(19-17-11)9-4-2-3-8(5-9)10(14)18/h6,8-9H,2-5H2,1H3,(H2,14,18).
What are the key properties of 3-[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxamide?
3-[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 128599384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).