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

C16H19N3O2 — CID 66414553

IUPAC3-[3-[(1-ethylpyrrol-3-yl)methylamino]phenyl]-1,3-oxazolidin-2-one
SMILESCCn1ccc(CNc2cccc(N3CCOC3=O)c2)c1
InChIInChI=1S/C16H19N3O2/c1-2-18-7-6-13(12-18)11-17-14-4-3-5-15(10-14)19-8-9-21-16(19)20/h3-7,10,12,17H,2,8-9,11H2,1H3
InChIKeyUMCMOJNLXCVWCZ-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.08
Rot. Bonds5

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

3-[3-[(1-ethylpyrrol-3-yl)methylamino]phenyl]-1,3-oxazolidin-2-one (PubChem CID 66414553) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-[3-[(1-ethylpyrrol-3-yl)methylamino]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-[(1-ethylpyrrol-3-yl)methylamino]phenyl]-1,3-oxazolidin-2-one
PubChem CID66414553
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-[3-[(1-ethylpyrrol-3-yl)methylamino]phenyl]-1,3-oxazolidin-2-one
SMILESCCn1ccc(CNc2cccc(N3CCOC3=O)c2)c1
InChIInChI=1S/C16H19N3O2/c1-2-18-7-6-13(12-18)11-17-14-4-3-5-15(10-14)19-8-9-21-16(19)20/h3-7,10,12,17H,2,8-9,11H2,1H3
InChIKeyUMCMOJNLXCVWCZ-UHFFFAOYSA-N
XLogP3.08
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(1-ethylpyrrol-3-yl)methylamino]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-[(1-ethylpyrrol-3-yl)methylamino]phenyl]-1,3-oxazolidin-2-one (CID 66414553) is 3-[3-[(1-ethylpyrrol-3-yl)methylamino]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-[(1-ethylpyrrol-3-yl)methylamino]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-[(1-ethylpyrrol-3-yl)methylamino]phenyl]-1,3-oxazolidin-2-one is CCn1ccc(CNc2cccc(N3CCOC3=O)c2)c1.
What is the InChIKey of 3-[3-[(1-ethylpyrrol-3-yl)methylamino]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is UMCMOJNLXCVWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-18-7-6-13(12-18)11-17-14-4-3-5-15(10-14)19-8-9-21-16(19)20/h3-7,10,12,17H,2,8-9,11H2,1H3.
What are the key properties of 3-[3-[(1-ethylpyrrol-3-yl)methylamino]phenyl]-1,3-oxazolidin-2-one?
3-[3-[(1-ethylpyrrol-3-yl)methylamino]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 285.35 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(1-ethylpyrrol-3-yl)methylamino]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 66414553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).