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

C15H18N4O2S — CID 95856208

IUPACcyclopropyl-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]methanone
SMILESCc1cc(-c2snnc2[C@@H]2CCCN(C(=O)C3CC3)C2)on1
InChIInChI=1S/C15H18N4O2S/c1-9-7-12(21-17-9)14-13(16-18-22-14)11-3-2-6-19(8-11)15(20)10-4-5-10/h7,10-11H,2-6,8H2,1H3/t11-/m1/s1
InChIKeyLCRXGJWRUGZSMI-LLVKDONJSA-N
MW318.40 g/mol
LogP2.62
Rot. Bonds3

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

cyclopropyl-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]methanone (PubChem CID 95856208) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is cyclopropyl-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]methanone
PubChem CID95856208
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Namecyclopropyl-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]methanone
SMILESCc1cc(-c2snnc2[C@@H]2CCCN(C(=O)C3CC3)C2)on1
InChIInChI=1S/C15H18N4O2S/c1-9-7-12(21-17-9)14-13(16-18-22-14)11-3-2-6-19(8-11)15(20)10-4-5-10/h7,10-11H,2-6,8H2,1H3/t11-/m1/s1
InChIKeyLCRXGJWRUGZSMI-LLVKDONJSA-N
XLogP2.62
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 110237217
3-(furan-2-yl)-1-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]propan-1-one
CID 92554125
5-[4-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole
CID 92554129
3-methyl-5-[4-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-3-yl]thiadiazol-5-yl]-1,2-oxazole
CID 110237198
5-[4-[1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole
CID 110237195
cyclopropyl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110219984
5-[4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole
CID 95856203
3-methyl-5-[4-[(3S)-1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-3-yl]thiadiazol-5-yl]-1,2-oxazole
CID 95856201
5-[4-[1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole
CID 110237190
1-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110225718
cyclohexyl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone
CID 110219773
1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]-2-phenylbutan-1-one
CID 110242578

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]methanone (CID 95856208) is cyclopropyl-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]methanone is Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)C3CC3)C2)on1.
What is the InChIKey of cyclopropyl-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]methanone?
The InChIKey is LCRXGJWRUGZSMI-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-9-7-12(21-17-9)14-13(16-18-22-14)11-3-2-6-19(8-11)15(20)10-4-5-10/h7,10-11H,2-6,8H2,1H3/t11-/m1/s1.
What are the key properties of cyclopropyl-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]methanone?
cyclopropyl-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]methanone has a molecular weight of 318.40 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 95856208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).