3-cyclohexyl-5-[[4-[6-(hydroxymethyl)-2-pyridinyl]triazol-1-yl]methyl]-1,3-oxazolidin-2-one

C18H23N5O3 — CID 167815926

IUPAC3-cyclohexyl-5-[[4-[6-(hydroxymethyl)-2-pyridinyl]triazol-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(Cn2cc(-c3cccc(CO)n3)nn2)CN1C1CCCCC1
InChIInChI=1S/C18H23N5O3/c24-12-13-5-4-8-16(19-13)17-11-22(21-20-17)9-15-10-23(18(25)26-15)14-6-2-1-3-7-14/h4-5,8,11,14-15,24H,1-3,6-7,9-10,12H2
InChIKeyPDWBVMWSLWPPOY-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.99
Rot. Bonds5

About 3-cyclohexyl-5-[[4-[6-(hydroxymethyl)-2-pyridinyl]triazol-1-yl]methyl]-1,3-oxazolidin-2-one

3-cyclohexyl-5-[[4-[6-(hydroxymethyl)-2-pyridinyl]triazol-1-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 167815926) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-cyclohexyl-5-[[4-[6-(hydroxymethyl)-2-pyridinyl]triazol-1-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-cyclohexyl-5-[[4-[6-(hydroxymethyl)-2-pyridinyl]triazol-1-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID167815926
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name3-cyclohexyl-5-[[4-[6-(hydroxymethyl)-2-pyridinyl]triazol-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(Cn2cc(-c3cccc(CO)n3)nn2)CN1C1CCCCC1
InChIInChI=1S/C18H23N5O3/c24-12-13-5-4-8-16(19-13)17-11-22(21-20-17)9-15-10-23(18(25)26-15)14-6-2-1-3-7-14/h4-5,8,11,14-15,24H,1-3,6-7,9-10,12H2
InChIKeyPDWBVMWSLWPPOY-UHFFFAOYSA-N
XLogP1.99
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-cyclohexyl-5-[[4-[6-(hydroxymethyl)-2-pyridinyl]triazol-1-yl]methyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

[6-[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]-2-pyridinyl]methanol
CID 166278065
3-cyclopentyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 90189648
3-cyclohexyl-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one
CID 115064770
2-(3-cyclobutyl-2-oxo-1,3-oxazolidin-5-yl)acetic acid
CID 115059970
3-cyclohexyl-5-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-ylmethyl)-1,3-oxazolidin-2-one
CID 136552495
5-[[4-[2-(azepan-1-yl)-1,3-thiazol-4-yl]triazol-1-yl]methyl]oxolan-2-one
CID 154795224
2-[1-[(5,5-difluorooxan-2-yl)methyl]triazol-4-yl]-6-(trifluoromethyl)pyridine
CID 154845951
2-[[4-(1-hydroxycyclohexyl)triazol-1-yl]methyl]-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione
CID 134132972
[1-[(5-methyloxolan-2-yl)methyl]triazol-4-yl]methanol
CID 103138035
2-(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)acetic acid
CID 82406326
2-[1-[[(2R)-oxan-2-yl]methyl]triazol-4-yl]-5-(2-phenylethynyl)pyridine
CID 164856878
(5R)-5-(hydroxymethyl)-3-(1-methylpiperidin-4-yl)-1,3-oxazolidin-2-one
CID 115056583

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-[[4-[6-(hydroxymethyl)-2-pyridinyl]triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-cyclohexyl-5-[[4-[6-(hydroxymethyl)-2-pyridinyl]triazol-1-yl]methyl]-1,3-oxazolidin-2-one (CID 167815926) is 3-cyclohexyl-5-[[4-[6-(hydroxymethyl)-2-pyridinyl]triazol-1-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-cyclohexyl-5-[[4-[6-(hydroxymethyl)-2-pyridinyl]triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-cyclohexyl-5-[[4-[6-(hydroxymethyl)-2-pyridinyl]triazol-1-yl]methyl]-1,3-oxazolidin-2-one is O=C1OC(Cn2cc(-c3cccc(CO)n3)nn2)CN1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-5-[[4-[6-(hydroxymethyl)-2-pyridinyl]triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is PDWBVMWSLWPPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c24-12-13-5-4-8-16(19-13)17-11-22(21-20-17)9-15-10-23(18(25)26-15)14-6-2-1-3-7-14/h4-5,8,11,14-15,24H,1-3,6-7,9-10,12H2.
What are the key properties of 3-cyclohexyl-5-[[4-[6-(hydroxymethyl)-2-pyridinyl]triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
3-cyclohexyl-5-[[4-[6-(hydroxymethyl)-2-pyridinyl]triazol-1-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 357.41 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-[[4-[6-(hydroxymethyl)-2-pyridinyl]triazol-1-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 167815926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).