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

C14H18N2O3 — CID 115065131

IUPAC3-[(2-hydroxyphenyl)methyl]-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one
SMILESO=C1OC(C2CCNC2)CN1Cc1ccccc1O
InChIInChI=1S/C14H18N2O3/c17-12-4-2-1-3-11(12)8-16-9-13(19-14(16)18)10-5-6-15-7-10/h1-4,10,13,15,17H,5-9H2
InChIKeyPXQZMJQJFVMJRN-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.32
Rot. Bonds3

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

3-[(2-hydroxyphenyl)methyl]-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one (PubChem CID 115065131) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[(2-hydroxyphenyl)methyl]-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(2-hydroxyphenyl)methyl]-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one
PubChem CID115065131
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-[(2-hydroxyphenyl)methyl]-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one
SMILESO=C1OC(C2CCNC2)CN1Cc1ccccc1O
InChIInChI=1S/C14H18N2O3/c17-12-4-2-1-3-11(12)8-16-9-13(19-14(16)18)10-5-6-15-7-10/h1-4,10,13,15,17H,5-9H2
InChIKeyPXQZMJQJFVMJRN-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-[(4-hydroxyphenyl)methyl]-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115065142
3-(2-hydroxyphenyl)-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115065078
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-[(4-fluorophenyl)methyl]-5-piperidin-3-yl-1,3-oxazolidin-2-one
CID 115065038
2-[3-[(2-hydroxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]acetic acid
CID 115060062
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
1-[(2-fluorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one
CID 115007161
1-[(2-methylphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one
CID 115007163

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxyphenyl)methyl]-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(2-hydroxyphenyl)methyl]-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one (CID 115065131) is 3-[(2-hydroxyphenyl)methyl]-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(2-hydroxyphenyl)methyl]-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(2-hydroxyphenyl)methyl]-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one is O=C1OC(C2CCNC2)CN1Cc1ccccc1O.
What is the InChIKey of 3-[(2-hydroxyphenyl)methyl]-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one?
The InChIKey is PXQZMJQJFVMJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-12-4-2-1-3-11(12)8-16-9-13(19-14(16)18)10-5-6-15-7-10/h1-4,10,13,15,17H,5-9H2.
What are the key properties of 3-[(2-hydroxyphenyl)methyl]-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one?
3-[(2-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-[(2-hydroxyphenyl)methyl]-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 115065131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).