5-[(4-methoxyphenoxy)methyl]-3-[1-[3-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one

C23H29N5O6S — CID 135403256

IUPAC5-[(4-methoxyphenoxy)methyl]-3-[1-[3-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(OCC2CN(C3CCN(C(=O)CCc4nnc(SC)[nH]c4=O)CC3)C(=O)O2)cc1
InChIInChI=1S/C23H29N5O6S/c1-32-16-3-5-17(6-4-16)33-14-18-13-28(23(31)34-18)15-9-11-27(12-10-15)20(29)8-7-19-21(30)24-22(35-2)26-25-19/h3-6,15,18H,7-14H2,1-2H3,(H,24,26,30)
InChIKeyNDEZZVJNAUNSJL-UHFFFAOYSA-N
MW503.58 g/mol
LogP1.72
Rot. Bonds9

About 5-[(4-methoxyphenoxy)methyl]-3-[1-[3-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one

5-[(4-methoxyphenoxy)methyl]-3-[1-[3-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 135403256) has the molecular formula C23H29N5O6S and a molecular weight of 503.58 g/mol. Its IUPAC name is 5-[(4-methoxyphenoxy)methyl]-3-[1-[3-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(4-methoxyphenoxy)methyl]-3-[1-[3-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID135403256
Molecular FormulaC23H29N5O6S
Molecular Weight503.58 g/mol
Exact Mass503.18
IUPAC Name5-[(4-methoxyphenoxy)methyl]-3-[1-[3-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(OCC2CN(C3CCN(C(=O)CCc4nnc(SC)[nH]c4=O)CC3)C(=O)O2)cc1
InChIInChI=1S/C23H29N5O6S/c1-32-16-3-5-17(6-4-16)33-14-18-13-28(23(31)34-18)15-9-11-27(12-10-15)20(29)8-7-19-21(30)24-22(35-2)26-25-19/h3-6,15,18H,7-14H2,1-2H3,(H,24,26,30)
InChIKeyNDEZZVJNAUNSJL-UHFFFAOYSA-N
XLogP1.72
TPSA126.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.58
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[(4-methoxyphenoxy)methyl]-3-[1-[3-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(4-methoxyphenoxy)methyl]-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3751432
3-[1-(5-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]-5-[(4-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 23959993
3-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-5-[(4-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 3864755
5-[(4-methoxyphenoxy)methyl]-3-[1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3519144
5-(phenoxymethyl)-3-[1-[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 6413510
N-[2-(2,5-dimethoxyphenyl)ethyl]-4-[2-oxo-5-(phenoxymethyl)-1,3-oxazolidin-3-yl]piperidine-1-carbothioamide
CID 3866913
3-[1-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 5154956
methyl 4-methoxy-5-[4-[5-[(4-methoxyphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]sulfonylthiophene-3-carboxylate
CID 3282110
4-[1-(3-aminopropanoyl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one;hydrochloride
CID 154919485
3-[1-[2-(3-chloro-4-hydroxyphenyl)acetyl]piperidin-4-yl]-5-(phenoxymethyl)-1,3-oxazolidin-2-one
CID 4992737
3-(4-methoxyphenyl)-6-[3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-4H-1,2,4-triazin-5-one
CID 135871697
3-[1-(3-chlorothiophene-2-carbonyl)piperidin-4-yl]-5-(phenoxymethyl)-1,3-oxazolidin-2-one
CID 4686280

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenoxy)methyl]-3-[1-[3-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(4-methoxyphenoxy)methyl]-3-[1-[3-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 135403256) is 5-[(4-methoxyphenoxy)methyl]-3-[1-[3-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(4-methoxyphenoxy)methyl]-3-[1-[3-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(4-methoxyphenoxy)methyl]-3-[1-[3-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one is COc1ccc(OCC2CN(C3CCN(C(=O)CCc4nnc(SC)[nH]c4=O)CC3)C(=O)O2)cc1.
What is the InChIKey of 5-[(4-methoxyphenoxy)methyl]-3-[1-[3-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is NDEZZVJNAUNSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O6S/c1-32-16-3-5-17(6-4-16)33-14-18-13-28(23(31)34-18)15-9-11-27(12-10-15)20(29)8-7-19-21(30)24-22(35-2)26-25-19/h3-6,15,18H,7-14H2,1-2H3,(H,24,26,30).
What are the key properties of 5-[(4-methoxyphenoxy)methyl]-3-[1-[3-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
5-[(4-methoxyphenoxy)methyl]-3-[1-[3-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 503.58 g/mol, XLogP of 1.72, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenoxy)methyl]-3-[1-[3-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 135403256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).