5-(4-fluorocyclohexyl)-3-[[4-(pyridin-4-yloxymethyl)phenyl]methyl]-1,3-oxazolidin-2-one

C22H25FN2O3 — CID 143501485

IUPAC5-(4-fluorocyclohexyl)-3-[[4-(pyridin-4-yloxymethyl)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(C2CCC(F)CC2)CN1Cc1ccc(COc2ccncc2)cc1
InChIInChI=1S/C22H25FN2O3/c23-19-7-5-18(6-8-19)21-14-25(22(26)28-21)13-16-1-3-17(4-2-16)15-27-20-9-11-24-12-10-20/h1-4,9-12,18-19,21H,5-8,13-15H2
InChIKeyWCOWKKROHBXLOW-UHFFFAOYSA-N
MW384.45 g/mol
LogP4.51
Rot. Bonds6

About 5-(4-fluorocyclohexyl)-3-[[4-(pyridin-4-yloxymethyl)phenyl]methyl]-1,3-oxazolidin-2-one

5-(4-fluorocyclohexyl)-3-[[4-(pyridin-4-yloxymethyl)phenyl]methyl]-1,3-oxazolidin-2-one (PubChem CID 143501485) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is 5-(4-fluorocyclohexyl)-3-[[4-(pyridin-4-yloxymethyl)phenyl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(4-fluorocyclohexyl)-3-[[4-(pyridin-4-yloxymethyl)phenyl]methyl]-1,3-oxazolidin-2-one
PubChem CID143501485
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Name5-(4-fluorocyclohexyl)-3-[[4-(pyridin-4-yloxymethyl)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(C2CCC(F)CC2)CN1Cc1ccc(COc2ccncc2)cc1
InChIInChI=1S/C22H25FN2O3/c23-19-7-5-18(6-8-19)21-14-25(22(26)28-21)13-16-1-3-17(4-2-16)15-27-20-9-11-24-12-10-20/h1-4,9-12,18-19,21H,5-8,13-15H2
InChIKeyWCOWKKROHBXLOW-UHFFFAOYSA-N
XLogP4.51
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-fluorocyclohexyl)-3-[[4-(pyridin-4-yloxymethyl)phenyl]methyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

5-[(1S)-3,4-dichlorocyclohexyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidin-2-one
CID 143501579
3-[(4-hydroxyphenyl)methyl]-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115065142
3-[(4-fluorophenyl)methyl]-5-piperidin-3-yl-1,3-oxazolidin-2-one
CID 115065038
(5R)-5-cyclohepta-1,4-dien-1-yl-3-[[4-(phenoxymethyl)phenyl]methyl]-1,3-oxazolidin-2-one
CID 143501464
(5R)-3-[[4-(cyclohexylmethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
CID 68813968
5-methyl-3-[[4-(2-phenoxyethoxy)phenyl]methyl]-1,3-oxazolidin-2-one
CID 25174081
4-methyl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine
CID 120909570
3-[[4-[(2-ethoxyphenyl)methoxy]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
CID 25174001
4-[(4-methoxyphenyl)methoxy]pyridine
CID 54365889
3-[[4-(2-cyclohexylethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
CID 25173287
[1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]azepan-3-yl]methanol
CID 167842133
1-[4-(morpholin-4-ylmethyl)phenyl]-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]methanamine
CID 78871470

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorocyclohexyl)-3-[[4-(pyridin-4-yloxymethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(4-fluorocyclohexyl)-3-[[4-(pyridin-4-yloxymethyl)phenyl]methyl]-1,3-oxazolidin-2-one (CID 143501485) is 5-(4-fluorocyclohexyl)-3-[[4-(pyridin-4-yloxymethyl)phenyl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(4-fluorocyclohexyl)-3-[[4-(pyridin-4-yloxymethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(4-fluorocyclohexyl)-3-[[4-(pyridin-4-yloxymethyl)phenyl]methyl]-1,3-oxazolidin-2-one is O=C1OC(C2CCC(F)CC2)CN1Cc1ccc(COc2ccncc2)cc1.
What is the InChIKey of 5-(4-fluorocyclohexyl)-3-[[4-(pyridin-4-yloxymethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is WCOWKKROHBXLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c23-19-7-5-18(6-8-19)21-14-25(22(26)28-21)13-16-1-3-17(4-2-16)15-27-20-9-11-24-12-10-20/h1-4,9-12,18-19,21H,5-8,13-15H2.
What are the key properties of 5-(4-fluorocyclohexyl)-3-[[4-(pyridin-4-yloxymethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
5-(4-fluorocyclohexyl)-3-[[4-(pyridin-4-yloxymethyl)phenyl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 384.45 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorocyclohexyl)-3-[[4-(pyridin-4-yloxymethyl)phenyl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 143501485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).