(5-methyl-1,2-oxazol-3-yl)-[(3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]methanone

C13H16N4O2S — CID 30863871

IUPAC(5-methyl-1,2-oxazol-3-yl)-[(3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC[C@H](c3nnc(C)s3)C2)no1
InChIInChI=1S/C13H16N4O2S/c1-8-6-11(16-19-8)13(18)17-5-3-4-10(7-17)12-15-14-9(2)20-12/h6,10H,3-5,7H2,1-2H3/t10-/m0/s1
InChIKeyDXMMRRDLFMAZMN-JTQLQIEISA-N
MW292.36 g/mol
LogP2.16
Rot. Bonds2

About (5-methyl-1,2-oxazol-3-yl)-[(3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]methanone

(5-methyl-1,2-oxazol-3-yl)-[(3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 30863871) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)-[(3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)-[(3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]methanone
PubChem CID30863871
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name(5-methyl-1,2-oxazol-3-yl)-[(3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC[C@H](c3nnc(C)s3)C2)no1
InChIInChI=1S/C13H16N4O2S/c1-8-6-11(16-19-8)13(18)17-5-3-4-10(7-17)12-15-14-9(2)20-12/h6,10H,3-5,7H2,1-2H3/t10-/m0/s1
InChIKeyDXMMRRDLFMAZMN-JTQLQIEISA-N
XLogP2.16
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-phenylmethanone
CID 30863910
(3-chlorophenyl)-[(3R)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]methanone
CID 30863924
cyclohexyl-[(3R)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]methanone
CID 51896016
methyl 1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate
CID 78919150
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129366335
[(3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 30863955
(5-methyl-1,2-oxazol-3-yl)-[(3S)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 95872642
(5-methyl-1,2-oxazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428158
(3-chloro-4-methylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 102961313
(4-chloropiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 66155616
(3,5-dimethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51072597
(5-methyl-1,2-oxazol-3-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 66201861

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[(3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[(3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]methanone (CID 30863871) is (5-methyl-1,2-oxazol-3-yl)-[(3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)-[(3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)-[(3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCC[C@H](c3nnc(C)s3)C2)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)-[(3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is DXMMRRDLFMAZMN-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-8-6-11(16-19-8)13(18)17-5-3-4-10(7-17)12-15-14-9(2)20-12/h6,10H,3-5,7H2,1-2H3/t10-/m0/s1.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)-[(3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]methanone?
(5-methyl-1,2-oxazol-3-yl)-[(3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 292.36 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)-[(3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 30863871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).