5-[[benzyl(2-hydroxyethyl)amino]methyl]-1,3-oxazolidin-2-one

C13H18N2O3 — CID 60706787

IUPAC5-[[benzyl(2-hydroxyethyl)amino]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(CN(CCO)Cc2ccccc2)O1
InChIInChI=1S/C13H18N2O3/c16-7-6-15(9-11-4-2-1-3-5-11)10-12-8-14-13(17)18-12/h1-5,12,16H,6-10H2,(H,14,17)
InChIKeyUCXDNVUJIUJUGV-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.59
Rot. Bonds6

About 5-[[benzyl(2-hydroxyethyl)amino]methyl]-1,3-oxazolidin-2-one

5-[[benzyl(2-hydroxyethyl)amino]methyl]-1,3-oxazolidin-2-one (PubChem CID 60706787) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-[[benzyl(2-hydroxyethyl)amino]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[benzyl(2-hydroxyethyl)amino]methyl]-1,3-oxazolidin-2-one
PubChem CID60706787
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name5-[[benzyl(2-hydroxyethyl)amino]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(CN(CCO)Cc2ccccc2)O1
InChIInChI=1S/C13H18N2O3/c16-7-6-15(9-11-4-2-1-3-5-11)10-12-8-14-13(17)18-12/h1-5,12,16H,6-10H2,(H,14,17)
InChIKeyUCXDNVUJIUJUGV-UHFFFAOYSA-N
XLogP0.59
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-[(dibenzylamino)methyl]-1,3-oxazolidin-2-one;morpholine;sulfane
CID 158369284
(5R)-5-[[benzyl(2-hydroxyethyl)amino]methyl]pyrrolidin-2-one
CID 66865389
3-[benzyl(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)amino]propan-1-ol
CID 14551073
2-[benzyl-[3-(oxiran-2-yl)propyl]amino]ethanol
CID 130595374
3-[[benzyl(2-hydroxyethyl)amino]methyl]oxan-4-one
CID 103057747
2-[benzyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 14800643
5-[[benzyl(2-hydroxyethyl)amino]methyl]-3-prop-2-ynylpyrrolidin-2-one
CID 175110365
5-[[3-(hydroxymethyl)phenyl]sulfanylmethyl]-1,3-oxazolidin-2-one
CID 66348944
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dimethyl-1-phenylmethanamine
CID 67016805
3-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 43841843
2-[benzyl(4-phenylbutyl)amino]ethanol
CID 114334509
2-[benzyl-[[3-(3,4,5-trimethoxyphenyl)pyrazolidin-4-yl]methyl]amino]ethanol
CID 74441611

Frequently Asked Questions

What is the IUPAC name of 5-[[benzyl(2-hydroxyethyl)amino]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[benzyl(2-hydroxyethyl)amino]methyl]-1,3-oxazolidin-2-one (CID 60706787) is 5-[[benzyl(2-hydroxyethyl)amino]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[benzyl(2-hydroxyethyl)amino]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[benzyl(2-hydroxyethyl)amino]methyl]-1,3-oxazolidin-2-one is O=C1NCC(CN(CCO)Cc2ccccc2)O1.
What is the InChIKey of 5-[[benzyl(2-hydroxyethyl)amino]methyl]-1,3-oxazolidin-2-one?
The InChIKey is UCXDNVUJIUJUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-7-6-15(9-11-4-2-1-3-5-11)10-12-8-14-13(17)18-12/h1-5,12,16H,6-10H2,(H,14,17).
What are the key properties of 5-[[benzyl(2-hydroxyethyl)amino]methyl]-1,3-oxazolidin-2-one?
5-[[benzyl(2-hydroxyethyl)amino]methyl]-1,3-oxazolidin-2-one has a molecular weight of 250.30 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[benzyl(2-hydroxyethyl)amino]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 60706787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).