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

C26H29N5O5 — CID 3519144

IUPAC5-[(4-methoxyphenoxy)methyl]-3-[1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(OCC2CN(C3CCN(C(=O)c4nn(-c5ccccc5)nc4C)CC3)C(=O)O2)cc1
InChIInChI=1S/C26H29N5O5/c1-18-24(28-31(27-18)20-6-4-3-5-7-20)25(32)29-14-12-19(13-15-29)30-16-23(36-26(30)33)17-35-22-10-8-21(34-2)9-11-22/h3-11,19,23H,12-17H2,1-2H3
InChIKeyQQCGNOLGAAZPGS-UHFFFAOYSA-N
MW491.55 g/mol
LogP3.09
Rot. Bonds7

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

5-[(4-methoxyphenoxy)methyl]-3-[1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 3519144) has the molecular formula C26H29N5O5 and a molecular weight of 491.55 g/mol. Its IUPAC name is 5-[(4-methoxyphenoxy)methyl]-3-[1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(4-methoxyphenoxy)methyl]-3-[1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID3519144
Molecular FormulaC26H29N5O5
Molecular Weight491.55 g/mol
Exact Mass491.22
IUPAC Name5-[(4-methoxyphenoxy)methyl]-3-[1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(OCC2CN(C3CCN(C(=O)c4nn(-c5ccccc5)nc4C)CC3)C(=O)O2)cc1
InChIInChI=1S/C26H29N5O5/c1-18-24(28-31(27-18)20-6-4-3-5-7-20)25(32)29-14-12-19(13-15-29)30-16-23(36-26(30)33)17-35-22-10-8-21(34-2)9-11-22/h3-11,19,23H,12-17H2,1-2H3
InChIKeyQQCGNOLGAAZPGS-UHFFFAOYSA-N
XLogP3.09
TPSA99.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.55
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3751432
3-[1-(3-chlorothiophene-2-carbonyl)piperidin-4-yl]-5-(phenoxymethyl)-1,3-oxazolidin-2-one
CID 4686280
3-[1-(5-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]-5-[(4-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 23959993
(4R,5S)-4-methyl-3-[1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one
CID 23996982
N-[2-(2,5-dimethoxyphenyl)ethyl]-4-[2-oxo-5-(phenoxymethyl)-1,3-oxazolidin-3-yl]piperidine-1-carbothioamide
CID 3866913
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
3-[1-(3-methylsulfonyl-6,7-dihydro-2-benzothiophene-1-carbonyl)piperidin-4-yl]-5-(phenoxymethyl)-1,3-oxazolidin-2-one
CID 3687515
N-(3-cyclopentyloxy-4-methoxyphenyl)-4-[2-oxo-5-(phenoxymethyl)-1,3-oxazolidin-3-yl]piperidine-1-carboxamide
CID 5006435
[1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-phenylmethanone
CID 17445120
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-[2-(3-chloro-4-hydroxyphenyl)acetyl]piperidin-4-yl]-5-(phenoxymethyl)-1,3-oxazolidin-2-one
CID 4992737

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenoxy)methyl]-3-[1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(4-methoxyphenoxy)methyl]-3-[1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one (CID 3519144) is 5-[(4-methoxyphenoxy)methyl]-3-[1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(4-methoxyphenoxy)methyl]-3-[1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(4-methoxyphenoxy)methyl]-3-[1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one is COc1ccc(OCC2CN(C3CCN(C(=O)c4nn(-c5ccccc5)nc4C)CC3)C(=O)O2)cc1.
What is the InChIKey of 5-[(4-methoxyphenoxy)methyl]-3-[1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is QQCGNOLGAAZPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O5/c1-18-24(28-31(27-18)20-6-4-3-5-7-20)25(32)29-14-12-19(13-15-29)30-16-23(36-26(30)33)17-35-22-10-8-21(34-2)9-11-22/h3-11,19,23H,12-17H2,1-2H3.
What are the key properties of 5-[(4-methoxyphenoxy)methyl]-3-[1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
5-[(4-methoxyphenoxy)methyl]-3-[1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 491.55 g/mol, XLogP of 3.09, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenoxy)methyl]-3-[1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3519144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).