(5-methyl-1,2-oxazol-3-yl)methyl 4-piperidin-1-ylsulfonylbenzoate

C17H20N2O5S — CID 8937003

IUPAC(5-methyl-1,2-oxazol-3-yl)methyl 4-piperidin-1-ylsulfonylbenzoate
SMILESCc1cc(COC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)no1
InChIInChI=1S/C17H20N2O5S/c1-13-11-15(18-24-13)12-23-17(20)14-5-7-16(8-6-14)25(21,22)19-9-3-2-4-10-19/h5-8,11H,2-4,9-10,12H2,1H3
InChIKeyXCPWAZAEDXOZTB-UHFFFAOYSA-N
MW364.42 g/mol
LogP2.51
Rot. Bonds5

About (5-methyl-1,2-oxazol-3-yl)methyl 4-piperidin-1-ylsulfonylbenzoate

(5-methyl-1,2-oxazol-3-yl)methyl 4-piperidin-1-ylsulfonylbenzoate (PubChem CID 8937003) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)methyl 4-piperidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)methyl 4-piperidin-1-ylsulfonylbenzoate
PubChem CID8937003
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Name(5-methyl-1,2-oxazol-3-yl)methyl 4-piperidin-1-ylsulfonylbenzoate
SMILESCc1cc(COC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)no1
InChIInChI=1S/C17H20N2O5S/c1-13-11-15(18-24-13)12-23-17(20)14-5-7-16(8-6-14)25(21,22)19-9-3-2-4-10-19/h5-8,11H,2-4,9-10,12H2,1H3
InChIKeyXCPWAZAEDXOZTB-UHFFFAOYSA-N
XLogP2.51
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-methyl-1,2-oxazol-3-yl)methyl 4-chloro-3-piperidin-1-ylsulfonylbenzoate
CID 8868013
(5-methyl-1,2-oxazol-3-yl)methyl 4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 9061168
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate
CID 16870213
ethyl 4-piperidin-1-ylsulfonylbenzoate
CID 1077892
(4-methylphenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate
CID 2557835
(4-methylphenyl)methyl 4-piperidin-1-ylsulfonylbenzoate
CID 2556899
[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate
CID 27548963
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 47728452
(2-methylphenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate
CID 7767619
2-oxopropyl 4-piperidin-1-ylsulfonylbenzoate
CID 2557067
(4,6-diamino-1,3,5-triazin-2-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate
CID 55390076
(5-methyl-1,2-oxazol-3-yl)methyl 2-methoxy-5-morpholin-4-ylsulfonylbenzoate
CID 7644571

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 4-piperidin-1-ylsulfonylbenzoate?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 4-piperidin-1-ylsulfonylbenzoate (CID 8937003) is (5-methyl-1,2-oxazol-3-yl)methyl 4-piperidin-1-ylsulfonylbenzoate.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)methyl 4-piperidin-1-ylsulfonylbenzoate?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)methyl 4-piperidin-1-ylsulfonylbenzoate is Cc1cc(COC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)methyl 4-piperidin-1-ylsulfonylbenzoate?
The InChIKey is XCPWAZAEDXOZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-13-11-15(18-24-13)12-23-17(20)14-5-7-16(8-6-14)25(21,22)19-9-3-2-4-10-19/h5-8,11H,2-4,9-10,12H2,1H3.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)methyl 4-piperidin-1-ylsulfonylbenzoate?
(5-methyl-1,2-oxazol-3-yl)methyl 4-piperidin-1-ylsulfonylbenzoate has a molecular weight of 364.42 g/mol, XLogP of 2.51, 5 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)methyl 4-piperidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 8937003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).