3-[(4-hydroxyphenyl)methyl]-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one

C14H18N2O3 — CID 115065142

IUPAC3-[(4-hydroxyphenyl)methyl]-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one
SMILESO=C1OC(C2CCNC2)CN1Cc1ccc(O)cc1
InChIInChI=1S/C14H18N2O3/c17-12-3-1-10(2-4-12)8-16-9-13(19-14(16)18)11-5-6-15-7-11/h1-4,11,13,15,17H,5-9H2
InChIKeyKOMBJCLHKBYKGH-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.32
Rot. Bonds3

About 3-[(4-hydroxyphenyl)methyl]-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one

3-[(4-hydroxyphenyl)methyl]-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one (PubChem CID 115065142) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[(4-hydroxyphenyl)methyl]-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(4-hydroxyphenyl)methyl]-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one
PubChem CID115065142
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-[(4-hydroxyphenyl)methyl]-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one
SMILESO=C1OC(C2CCNC2)CN1Cc1ccc(O)cc1
InChIInChI=1S/C14H18N2O3/c17-12-3-1-10(2-4-12)8-16-9-13(19-14(16)18)11-5-6-15-7-11/h1-4,11,13,15,17H,5-9H2
InChIKeyKOMBJCLHKBYKGH-UHFFFAOYSA-N
XLogP1.32
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-hydroxyphenyl)methyl]-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115065131
3-[(4-fluorophenyl)methyl]-5-piperidin-3-yl-1,3-oxazolidin-2-one
CID 115065038
3-[(3-hydroxyphenyl)methyl]-5-piperidin-3-yl-1,3-oxazolidin-2-one
CID 115065022
5-pyrrolidin-3-yl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
CID 115065111
3-(2,2-dimethylpropyl)-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115065107
3-(2-hydroxyphenyl)-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115065078
3-(3-hydroxyphenyl)-5-piperidin-3-yl-1,3-oxazolidin-2-one
CID 115064972
3-ethyl-5-piperidin-4-yl-1,3-oxazolidin-2-one
CID 115064909
3-(3-hydroxyphenyl)-5-piperidin-4-yl-1,3-oxazolidin-2-one
CID 115064883
4-benzyl-6-piperidin-4-ylmorpholin-3-one
CID 115067805
5-(4-fluorocyclohexyl)-3-[[4-(pyridin-4-yloxymethyl)phenyl]methyl]-1,3-oxazolidin-2-one
CID 143501485
4-(3-hydroxyphenyl)-6-pyrrolidin-3-ylmorpholin-3-one
CID 115067936

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxyphenyl)methyl]-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(4-hydroxyphenyl)methyl]-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one (CID 115065142) is 3-[(4-hydroxyphenyl)methyl]-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(4-hydroxyphenyl)methyl]-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(4-hydroxyphenyl)methyl]-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one is O=C1OC(C2CCNC2)CN1Cc1ccc(O)cc1.
What is the InChIKey of 3-[(4-hydroxyphenyl)methyl]-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one?
The InChIKey is KOMBJCLHKBYKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-12-3-1-10(2-4-12)8-16-9-13(19-14(16)18)11-5-6-15-7-11/h1-4,11,13,15,17H,5-9H2.
What are the key properties of 3-[(4-hydroxyphenyl)methyl]-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one?
3-[(4-hydroxyphenyl)methyl]-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one has a molecular weight of 262.31 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxyphenyl)methyl]-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 115065142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).