3-[3-[(5-methylfuran-2-yl)methylamino]phenyl]-1,3-oxazolidin-2-one

C15H16N2O3 — CID 43727255

IUPAC3-[3-[(5-methylfuran-2-yl)methylamino]phenyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(CNc2cccc(N3CCOC3=O)c2)o1
InChIInChI=1S/C15H16N2O3/c1-11-5-6-14(20-11)10-16-12-3-2-4-13(9-12)17-7-8-19-15(17)18/h2-6,9,16H,7-8,10H2,1H3
InChIKeyWMXGIHWPXXCBDF-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.16
Rot. Bonds4

About 3-[3-[(5-methylfuran-2-yl)methylamino]phenyl]-1,3-oxazolidin-2-one

3-[3-[(5-methylfuran-2-yl)methylamino]phenyl]-1,3-oxazolidin-2-one (PubChem CID 43727255) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-[3-[(5-methylfuran-2-yl)methylamino]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-[(5-methylfuran-2-yl)methylamino]phenyl]-1,3-oxazolidin-2-one
PubChem CID43727255
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name3-[3-[(5-methylfuran-2-yl)methylamino]phenyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(CNc2cccc(N3CCOC3=O)c2)o1
InChIInChI=1S/C15H16N2O3/c1-11-5-6-14(20-11)10-16-12-3-2-4-13(9-12)17-7-8-19-15(17)18/h2-6,9,16H,7-8,10H2,1H3
InChIKeyWMXGIHWPXXCBDF-UHFFFAOYSA-N
XLogP3.16
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(5-methylfuran-2-yl)methylamino]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-[(5-methylfuran-2-yl)methylamino]phenyl]-1,3-oxazolidin-2-one (CID 43727255) is 3-[3-[(5-methylfuran-2-yl)methylamino]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-[(5-methylfuran-2-yl)methylamino]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-[(5-methylfuran-2-yl)methylamino]phenyl]-1,3-oxazolidin-2-one is Cc1ccc(CNc2cccc(N3CCOC3=O)c2)o1.
What is the InChIKey of 3-[3-[(5-methylfuran-2-yl)methylamino]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is WMXGIHWPXXCBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-11-5-6-14(20-11)10-16-12-3-2-4-13(9-12)17-7-8-19-15(17)18/h2-6,9,16H,7-8,10H2,1H3.
What are the key properties of 3-[3-[(5-methylfuran-2-yl)methylamino]phenyl]-1,3-oxazolidin-2-one?
3-[3-[(5-methylfuran-2-yl)methylamino]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 272.30 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(5-methylfuran-2-yl)methylamino]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 43727255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).