3-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-5-[(4-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one

C23H24N4O6 — CID 3864755

IUPAC3-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-5-[(4-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(OCC2CN(C3CCN(C(=O)c4ccc5nonc5c4)CC3)C(=O)O2)cc1
InChIInChI=1S/C23H24N4O6/c1-30-17-3-5-18(6-4-17)31-14-19-13-27(23(29)32-19)16-8-10-26(11-9-16)22(28)15-2-7-20-21(12-15)25-33-24-20/h2-7,12,16,19H,8-11,13-14H2,1H3
InChIKeyYCDDGYPUVVGXJT-UHFFFAOYSA-N
MW452.47 g/mol
LogP2.74
Rot. Bonds6

About 3-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-5-[(4-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one

3-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-5-[(4-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one (PubChem CID 3864755) has the molecular formula C23H24N4O6 and a molecular weight of 452.47 g/mol. Its IUPAC name is 3-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-5-[(4-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-5-[(4-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
PubChem CID3864755
Molecular FormulaC23H24N4O6
Molecular Weight452.47 g/mol
Exact Mass452.17
IUPAC Name3-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-5-[(4-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(OCC2CN(C3CCN(C(=O)c4ccc5nonc5c4)CC3)C(=O)O2)cc1
InChIInChI=1S/C23H24N4O6/c1-30-17-3-5-18(6-4-17)31-14-19-13-27(23(29)32-19)16-8-10-26(11-9-16)22(28)15-2-7-20-21(12-15)25-33-24-20/h2-7,12,16,19H,8-11,13-14H2,1H3
InChIKeyYCDDGYPUVVGXJT-UHFFFAOYSA-N
XLogP2.74
TPSA107.23 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.47
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-5-[(4-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

5-[(4-methoxyphenoxy)methyl]-3-[1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3519144
3-[1-(5-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]-5-[(4-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 23959993
5-[(4-methoxyphenoxy)methyl]-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3751432
2,1,3-benzoxadiazol-5-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 70719761
3-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one
CID 3364678
3-[1-(3-chlorothiophene-2-carbonyl)piperidin-4-yl]-5-(phenoxymethyl)-1,3-oxazolidin-2-one
CID 4686280
N-[2-(2,5-dimethoxyphenyl)ethyl]-4-[2-oxo-5-(phenoxymethyl)-1,3-oxazolidin-3-yl]piperidine-1-carbothioamide
CID 3866913
methyl 4-methoxy-5-[4-[5-[(4-methoxyphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]sulfonylthiophene-3-carboxylate
CID 3282110
N-(3-cyclopentyloxy-4-methoxyphenyl)-4-[2-oxo-5-(phenoxymethyl)-1,3-oxazolidin-3-yl]piperidine-1-carboxamide
CID 5006435
3-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-5-(phenoxymethyl)-1,3-oxazolidin-2-one
CID 5102762
3-[1-(3-methylsulfonyl-6,7-dihydro-2-benzothiophene-1-carbonyl)piperidin-4-yl]-5-(phenoxymethyl)-1,3-oxazolidin-2-one
CID 3687515
2,1,3-benzoxadiazol-5-yl-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone
CID 56908568

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-5-[(4-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-5-[(4-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one (CID 3864755) is 3-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-5-[(4-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-5-[(4-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-5-[(4-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one is COc1ccc(OCC2CN(C3CCN(C(=O)c4ccc5nonc5c4)CC3)C(=O)O2)cc1.
What is the InChIKey of 3-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-5-[(4-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one?
The InChIKey is YCDDGYPUVVGXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O6/c1-30-17-3-5-18(6-4-17)31-14-19-13-27(23(29)32-19)16-8-10-26(11-9-16)22(28)15-2-7-20-21(12-15)25-33-24-20/h2-7,12,16,19H,8-11,13-14H2,1H3.
What are the key properties of 3-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-5-[(4-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one?
3-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-5-[(4-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one has a molecular weight of 452.47 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-5-[(4-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3864755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).