[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone

C20H26N2O5S — CID 25449303

IUPAC[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
SMILESCc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)c2cccc(OC(C)C)c2)C1
InChIInChI=1S/C20H26N2O5S/c1-13(2)26-18-9-5-7-16(11-18)19(23)17-8-6-10-22(12-17)28(24,25)20-14(3)21-27-15(20)4/h5,7,9,11,13,17H,6,8,10,12H2,1-4H3/t17-/m1/s1
InChIKeyLAHHBSDMRYIDMY-QGZVFWFLSA-N
MW406.50 g/mol
LogP3.36
Rot. Bonds6

About [(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone

[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone (PubChem CID 25449303) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is [(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
PubChem CID25449303
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
SMILESCc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)c2cccc(OC(C)C)c2)C1
InChIInChI=1S/C20H26N2O5S/c1-13(2)26-18-9-5-7-16(11-18)19(23)17-8-6-10-22(12-17)28(24,25)20-14(3)21-27-15(20)4/h5,7,9,11,13,17H,6,8,10,12H2,1-4H3/t17-/m1/s1
InChIKeyLAHHBSDMRYIDMY-QGZVFWFLSA-N
XLogP3.36
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 51510402
(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 7030539
(3-carbamoylphenyl)methyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 55634238
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 3756181
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[1-(4-methoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 55560315
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(3-methoxyphenoxy)ethyl]piperidine-3-carboxamide
CID 55586189
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-(3-fluorophenoxy)phenyl]piperidine-3-carboxamide
CID 55907687
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-3-carboxamide
CID 55526450
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 51264936
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 55747308
ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 2812656
N-(3-cyanophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 110335753

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone?
The IUPAC name of [(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone (CID 25449303) is [(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for [(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone?
The canonical SMILES for [(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone is Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)c2cccc(OC(C)C)c2)C1.
What is the InChIKey of [(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone?
The InChIKey is LAHHBSDMRYIDMY-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-13(2)26-18-9-5-7-16(11-18)19(23)17-8-6-10-22(12-17)28(24,25)20-14(3)21-27-15(20)4/h5,7,9,11,13,17H,6,8,10,12H2,1-4H3/t17-/m1/s1.
What are the key properties of [(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone?
[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone has a molecular weight of 406.50 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 25449303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).