3-[4-(2-hydroxypropan-2-yl)phenyl]-5-[[4-[2-(methylamino)ethyl]triazol-1-yl]methyl]-1,3-oxazolidin-2-one

C18H25N5O3 — CID 142879153

IUPAC3-[4-(2-hydroxypropan-2-yl)phenyl]-5-[[4-[2-(methylamino)ethyl]triazol-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESCNCCc1cn(CC2CN(c3ccc(C(C)(C)O)cc3)C(=O)O2)nn1
InChIInChI=1S/C18H25N5O3/c1-18(2,25)13-4-6-15(7-5-13)23-12-16(26-17(23)24)11-22-10-14(20-21-22)8-9-19-3/h4-7,10,16,19,25H,8-9,11-12H2,1-3H3
InChIKeySSDLYZPLSJUIMO-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.29
Rot. Bonds7

About 3-[4-(2-hydroxypropan-2-yl)phenyl]-5-[[4-[2-(methylamino)ethyl]triazol-1-yl]methyl]-1,3-oxazolidin-2-one

3-[4-(2-hydroxypropan-2-yl)phenyl]-5-[[4-[2-(methylamino)ethyl]triazol-1-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 142879153) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-[4-(2-hydroxypropan-2-yl)phenyl]-5-[[4-[2-(methylamino)ethyl]triazol-1-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-(2-hydroxypropan-2-yl)phenyl]-5-[[4-[2-(methylamino)ethyl]triazol-1-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID142879153
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name3-[4-(2-hydroxypropan-2-yl)phenyl]-5-[[4-[2-(methylamino)ethyl]triazol-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESCNCCc1cn(CC2CN(c3ccc(C(C)(C)O)cc3)C(=O)O2)nn1
InChIInChI=1S/C18H25N5O3/c1-18(2,25)13-4-6-15(7-5-13)23-12-16(26-17(23)24)11-22-10-14(20-21-22)8-9-19-3/h4-7,10,16,19,25H,8-9,11-12H2,1-3H3
InChIKeySSDLYZPLSJUIMO-UHFFFAOYSA-N
XLogP1.29
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxypropan-2-yl)phenyl]-5-[[4-[2-(methylamino)ethyl]triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-(2-hydroxypropan-2-yl)phenyl]-5-[[4-[2-(methylamino)ethyl]triazol-1-yl]methyl]-1,3-oxazolidin-2-one (CID 142879153) is 3-[4-(2-hydroxypropan-2-yl)phenyl]-5-[[4-[2-(methylamino)ethyl]triazol-1-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-(2-hydroxypropan-2-yl)phenyl]-5-[[4-[2-(methylamino)ethyl]triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-(2-hydroxypropan-2-yl)phenyl]-5-[[4-[2-(methylamino)ethyl]triazol-1-yl]methyl]-1,3-oxazolidin-2-one is CNCCc1cn(CC2CN(c3ccc(C(C)(C)O)cc3)C(=O)O2)nn1.
What is the InChIKey of 3-[4-(2-hydroxypropan-2-yl)phenyl]-5-[[4-[2-(methylamino)ethyl]triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is SSDLYZPLSJUIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-18(2,25)13-4-6-15(7-5-13)23-12-16(26-17(23)24)11-22-10-14(20-21-22)8-9-19-3/h4-7,10,16,19,25H,8-9,11-12H2,1-3H3.
What are the key properties of 3-[4-(2-hydroxypropan-2-yl)phenyl]-5-[[4-[2-(methylamino)ethyl]triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
3-[4-(2-hydroxypropan-2-yl)phenyl]-5-[[4-[2-(methylamino)ethyl]triazol-1-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 359.43 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxypropan-2-yl)phenyl]-5-[[4-[2-(methylamino)ethyl]triazol-1-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 142879153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).