(5-methyl-1,2-oxazol-3-yl)methyl 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate

C21H22N2O5S — CID 27543624

IUPAC(5-methyl-1,2-oxazol-3-yl)methyl 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate
SMILESCc1cc(COC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)no1
InChIInChI=1S/C21H22N2O5S/c1-15-12-19(22-28-15)14-27-21(24)17-8-10-23(11-9-17)29(25,26)20-7-6-16-4-2-3-5-18(16)13-20/h2-7,12-13,17H,8-11,14H2,1H3
InChIKeyOMAPUDVDTXSUNB-UHFFFAOYSA-N
MW414.48 g/mol
LogP3.28
Rot. Bonds5

About (5-methyl-1,2-oxazol-3-yl)methyl 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate

(5-methyl-1,2-oxazol-3-yl)methyl 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate (PubChem CID 27543624) has the molecular formula C21H22N2O5S and a molecular weight of 414.48 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)methyl 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)methyl 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate
PubChem CID27543624
Molecular FormulaC21H22N2O5S
Molecular Weight414.48 g/mol
Exact Mass414.12
IUPAC Name(5-methyl-1,2-oxazol-3-yl)methyl 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate
SMILESCc1cc(COC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)no1
InChIInChI=1S/C21H22N2O5S/c1-15-12-19(22-28-15)14-27-21(24)17-8-10-23(11-9-17)29(25,26)20-7-6-16-4-2-3-5-18(16)13-20/h2-7,12-13,17H,8-11,14H2,1H3
InChIKeyOMAPUDVDTXSUNB-UHFFFAOYSA-N
XLogP3.28
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-methyl-1,2-oxazol-3-yl)methyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate
CID 28600761
pyridin-2-ylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 42578108
(5-methyl-1,2-oxazol-3-yl)methyl 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate
CID 27426027
[3-(1-methoxyethenyl)phenyl]methyl 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate
CID 123309908
(5-methyl-1,2-oxazol-3-yl)methyl 4-piperidin-1-ylsulfonylbenzoate
CID 8937003
[2-(4-fluorophenyl)-2-oxoethyl] 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate
CID 1158068
(5-phenyl-1,2-oxazol-3-yl)methyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate
CID 39968617
[2-(3-nitrophenyl)-2-oxoethyl] 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate
CID 1347495
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate
CID 32854126
(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-(1,3-oxazol-2-yl)methanone
CID 23725195
ethyl 1-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 1167102
(3-methylquinoxalin-2-yl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-4-carboxylate
CID 25497624

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate (CID 27543624) is (5-methyl-1,2-oxazol-3-yl)methyl 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)methyl 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)methyl 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate is Cc1cc(COC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)methyl 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate?
The InChIKey is OMAPUDVDTXSUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5S/c1-15-12-19(22-28-15)14-27-21(24)17-8-10-23(11-9-17)29(25,26)20-7-6-16-4-2-3-5-18(16)13-20/h2-7,12-13,17H,8-11,14H2,1H3.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)methyl 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate?
(5-methyl-1,2-oxazol-3-yl)methyl 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate has a molecular weight of 414.48 g/mol, XLogP of 3.28, 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 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 27543624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).