3-cyclopropyl-5-[[methyl-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]amino]methyl]-1,3-oxazolidin-2-one

C18H23N3O4 — CID 138029835

IUPAC3-cyclopropyl-5-[[methyl-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]amino]methyl]-1,3-oxazolidin-2-one
SMILESCN(CC1CN(c2ccccc2)C(=O)O1)CC1CN(C2CC2)C(=O)O1
InChIInChI=1S/C18H23N3O4/c1-19(10-16-12-21(14-7-8-14)18(23)25-16)9-15-11-20(17(22)24-15)13-5-3-2-4-6-13/h2-6,14-16H,7-12H2,1H3
InChIKeyQUJAFCUMXCTZDG-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.93
Rot. Bonds6

About 3-cyclopropyl-5-[[methyl-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]amino]methyl]-1,3-oxazolidin-2-one

3-cyclopropyl-5-[[methyl-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]amino]methyl]-1,3-oxazolidin-2-one (PubChem CID 138029835) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-cyclopropyl-5-[[methyl-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]amino]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-cyclopropyl-5-[[methyl-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]amino]methyl]-1,3-oxazolidin-2-one
PubChem CID138029835
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name3-cyclopropyl-5-[[methyl-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]amino]methyl]-1,3-oxazolidin-2-one
SMILESCN(CC1CN(c2ccccc2)C(=O)O1)CC1CN(C2CC2)C(=O)O1
InChIInChI=1S/C18H23N3O4/c1-19(10-16-12-21(14-7-8-14)18(23)25-16)9-15-11-20(17(22)24-15)13-5-3-2-4-6-13/h2-6,14-16H,7-12H2,1H3
InChIKeyQUJAFCUMXCTZDG-UHFFFAOYSA-N
XLogP1.93
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[[methyl-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]amino]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-cyclopropyl-5-[[methyl-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]amino]methyl]-1,3-oxazolidin-2-one (CID 138029835) is 3-cyclopropyl-5-[[methyl-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]amino]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-cyclopropyl-5-[[methyl-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]amino]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-cyclopropyl-5-[[methyl-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]amino]methyl]-1,3-oxazolidin-2-one is CN(CC1CN(c2ccccc2)C(=O)O1)CC1CN(C2CC2)C(=O)O1.
What is the InChIKey of 3-cyclopropyl-5-[[methyl-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]amino]methyl]-1,3-oxazolidin-2-one?
The InChIKey is QUJAFCUMXCTZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-19(10-16-12-21(14-7-8-14)18(23)25-16)9-15-11-20(17(22)24-15)13-5-3-2-4-6-13/h2-6,14-16H,7-12H2,1H3.
What are the key properties of 3-cyclopropyl-5-[[methyl-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]amino]methyl]-1,3-oxazolidin-2-one?
3-cyclopropyl-5-[[methyl-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]amino]methyl]-1,3-oxazolidin-2-one has a molecular weight of 345.40 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[[methyl-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]amino]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 138029835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).