(5-phenyl-1,2-oxazol-3-yl)methyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate

C24H24N2O7S — CID 39968617

IUPAC(5-phenyl-1,2-oxazol-3-yl)methyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate
SMILESCOC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)OCc2cc(-c3ccccc3)on2)CC1
InChIInChI=1S/C24H24N2O7S/c1-31-24(28)20-9-5-6-10-22(20)34(29,30)26-13-11-18(12-14-26)23(27)32-16-19-15-21(33-25-19)17-7-3-2-4-8-17/h2-10,15,18H,11-14,16H2,1H3
InChIKeyFVEWWPIFRKSYEF-UHFFFAOYSA-N
MW484.53 g/mol
LogP3.27
Rot. Bonds7

About (5-phenyl-1,2-oxazol-3-yl)methyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate

(5-phenyl-1,2-oxazol-3-yl)methyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate (PubChem CID 39968617) has the molecular formula C24H24N2O7S and a molecular weight of 484.53 g/mol. Its IUPAC name is (5-phenyl-1,2-oxazol-3-yl)methyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name(5-phenyl-1,2-oxazol-3-yl)methyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate
PubChem CID39968617
Molecular FormulaC24H24N2O7S
Molecular Weight484.53 g/mol
Exact Mass484.13
IUPAC Name(5-phenyl-1,2-oxazol-3-yl)methyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate
SMILESCOC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)OCc2cc(-c3ccccc3)on2)CC1
InChIInChI=1S/C24H24N2O7S/c1-31-24(28)20-9-5-6-10-22(20)34(29,30)26-13-11-18(12-14-26)23(27)32-16-19-15-21(33-25-19)17-7-3-2-4-8-17/h2-10,15,18H,11-14,16H2,1H3
InChIKeyFVEWWPIFRKSYEF-UHFFFAOYSA-N
XLogP3.27
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.53
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate
CID 7961507
2-oxopropyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate
CID 7483565
(4-methoxycarbonylphenyl) 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate
CID 30279484
methyl 2-(4-phenylmethoxypiperidin-1-yl)sulfonylbenzoate
CID 51278510
2-O-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 16870041
(5-methyl-1,2-oxazol-3-yl)methyl 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate
CID 27543624
(5-phenyl-1,2-oxazol-3-yl)methyl 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate
CID 55462775
methyl 2-[4-(propylcarbamoyl)piperidin-1-yl]sulfonylbenzoate
CID 42990230
(5-phenyl-1,2-oxazol-3-yl)methyl 2-(methanesulfonamido)benzoate
CID 24530422
1-(2-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylic acid
CID 122068242
methyl 2-(4-methylpiperazin-1-yl)sulfonylbenzoate
CID 47104022
methyl 2-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]sulfonylbenzoate
CID 53130831

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,2-oxazol-3-yl)methyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of (5-phenyl-1,2-oxazol-3-yl)methyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate (CID 39968617) is (5-phenyl-1,2-oxazol-3-yl)methyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for (5-phenyl-1,2-oxazol-3-yl)methyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for (5-phenyl-1,2-oxazol-3-yl)methyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate is COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)OCc2cc(-c3ccccc3)on2)CC1.
What is the InChIKey of (5-phenyl-1,2-oxazol-3-yl)methyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate?
The InChIKey is FVEWWPIFRKSYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O7S/c1-31-24(28)20-9-5-6-10-22(20)34(29,30)26-13-11-18(12-14-26)23(27)32-16-19-15-21(33-25-19)17-7-3-2-4-8-17/h2-10,15,18H,11-14,16H2,1H3.
What are the key properties of (5-phenyl-1,2-oxazol-3-yl)methyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate?
(5-phenyl-1,2-oxazol-3-yl)methyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate has a molecular weight of 484.53 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,2-oxazol-3-yl)methyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 39968617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).