[(3R)-1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone

C20H22N2O2S2 — CID 42516668

IUPAC[(3R)-1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone
SMILESCc1ccsc1-c1nc(CN2CCC[C@@H](C(=O)c3cccs3)C2)c(C)o1
InChIInChI=1S/C20H22N2O2S2/c1-13-7-10-26-19(13)20-21-16(14(2)24-20)12-22-8-3-5-15(11-22)18(23)17-6-4-9-25-17/h4,6-7,9-10,15H,3,5,8,11-12H2,1-2H3/t15-/m1/s1
InChIKeyKOBSSTDCMIBBHB-OAHLLOKOSA-N
MW386.54 g/mol
LogP5.18
Rot. Bonds5

About [(3R)-1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone

[(3R)-1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone (PubChem CID 42516668) has the molecular formula C20H22N2O2S2 and a molecular weight of 386.54 g/mol. Its IUPAC name is [(3R)-1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[(3R)-1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone
PubChem CID42516668
Molecular FormulaC20H22N2O2S2
Molecular Weight386.54 g/mol
Exact Mass386.11
IUPAC Name[(3R)-1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone
SMILESCc1ccsc1-c1nc(CN2CCC[C@@H](C(=O)c3cccs3)C2)c(C)o1
InChIInChI=1S/C20H22N2O2S2/c1-13-7-10-26-19(13)20-21-16(14(2)24-20)12-22-8-3-5-15(11-22)18(23)17-6-4-9-25-17/h4,6-7,9-10,15H,3,5,8,11-12H2,1-2H3/t15-/m1/s1
InChIKeyKOBSSTDCMIBBHB-OAHLLOKOSA-N
XLogP5.18
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 42516670
[1-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 45182292
N,N-diethyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide
CID 45202856
N-cyclohexyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide
CID 20860021
[1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 45207551
N-[(4-methoxyphenyl)methyl]-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide
CID 20860018
4-[[(3R)-3-(methoxymethyl)piperidin-1-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 42382192
(3S)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 95868173
[(3S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 95215186
(3S,4S)-1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-4-propan-2-yloxypyrrolidin-3-ol
CID 56865363
[1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 135119352
(3S)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine
CID 81491549

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone?
The IUPAC name of [(3R)-1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone (CID 42516668) is [(3R)-1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [(3R)-1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [(3R)-1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone is Cc1ccsc1-c1nc(CN2CCC[C@@H](C(=O)c3cccs3)C2)c(C)o1.
What is the InChIKey of [(3R)-1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone?
The InChIKey is KOBSSTDCMIBBHB-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N2O2S2/c1-13-7-10-26-19(13)20-21-16(14(2)24-20)12-22-8-3-5-15(11-22)18(23)17-6-4-9-25-17/h4,6-7,9-10,15H,3,5,8,11-12H2,1-2H3/t15-/m1/s1.
What are the key properties of [(3R)-1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone?
[(3R)-1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone has a molecular weight of 386.54 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 42516668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).