2-(3-hydroxyphenyl)-5-methyl-5-propan-2-yl-1,2-oxazolidin-3-one

C13H17NO3 — CID 105496154

IUPAC2-(3-hydroxyphenyl)-5-methyl-5-propan-2-yl-1,2-oxazolidin-3-one
SMILESCC(C)C1(C)CC(=O)N(c2cccc(O)c2)O1
InChIInChI=1S/C13H17NO3/c1-9(2)13(3)8-12(16)14(17-13)10-5-4-6-11(15)7-10/h4-7,9,15H,8H2,1-3H3
InChIKeyXACLRMJMAOHHTO-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.48
Rot. Bonds2

About 2-(3-hydroxyphenyl)-5-methyl-5-propan-2-yl-1,2-oxazolidin-3-one

2-(3-hydroxyphenyl)-5-methyl-5-propan-2-yl-1,2-oxazolidin-3-one (PubChem CID 105496154) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-5-methyl-5-propan-2-yl-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-5-methyl-5-propan-2-yl-1,2-oxazolidin-3-one
PubChem CID105496154
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-(3-hydroxyphenyl)-5-methyl-5-propan-2-yl-1,2-oxazolidin-3-one
SMILESCC(C)C1(C)CC(=O)N(c2cccc(O)c2)O1
InChIInChI=1S/C13H17NO3/c1-9(2)13(3)8-12(16)14(17-13)10-5-4-6-11(15)7-10/h4-7,9,15H,8H2,1-3H3
InChIKeyXACLRMJMAOHHTO-UHFFFAOYSA-N
XLogP2.48
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-5-methyl-5-propan-2-yl-1,2-oxazolidin-3-one?
The IUPAC name of 2-(3-hydroxyphenyl)-5-methyl-5-propan-2-yl-1,2-oxazolidin-3-one (CID 105496154) is 2-(3-hydroxyphenyl)-5-methyl-5-propan-2-yl-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-(3-hydroxyphenyl)-5-methyl-5-propan-2-yl-1,2-oxazolidin-3-one?
The canonical SMILES for 2-(3-hydroxyphenyl)-5-methyl-5-propan-2-yl-1,2-oxazolidin-3-one is CC(C)C1(C)CC(=O)N(c2cccc(O)c2)O1.
What is the InChIKey of 2-(3-hydroxyphenyl)-5-methyl-5-propan-2-yl-1,2-oxazolidin-3-one?
The InChIKey is XACLRMJMAOHHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9(2)13(3)8-12(16)14(17-13)10-5-4-6-11(15)7-10/h4-7,9,15H,8H2,1-3H3.
What are the key properties of 2-(3-hydroxyphenyl)-5-methyl-5-propan-2-yl-1,2-oxazolidin-3-one?
2-(3-hydroxyphenyl)-5-methyl-5-propan-2-yl-1,2-oxazolidin-3-one has a molecular weight of 235.28 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-5-methyl-5-propan-2-yl-1,2-oxazolidin-3-one is sourced from PubChem (CID 105496154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).