2-[2-(aminomethyl)phenyl]-1,3-oxazolidin-4-one

C10H12N2O2 — CID 18669395

IUPAC2-[2-(aminomethyl)phenyl]-1,3-oxazolidin-4-one
SMILESNCc1ccccc1C1NC(=O)CO1
InChIInChI=1S/C10H12N2O2/c11-5-7-3-1-2-4-8(7)10-12-9(13)6-14-10/h1-4,10H,5-6,11H2,(H,12,13)
InChIKeyBXOVBIFUCKLXHK-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.29
Rot. Bonds2

About 2-[2-(aminomethyl)phenyl]-1,3-oxazolidin-4-one

2-[2-(aminomethyl)phenyl]-1,3-oxazolidin-4-one (PubChem CID 18669395) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-1,3-oxazolidin-4-one
PubChem CID18669395
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-[2-(aminomethyl)phenyl]-1,3-oxazolidin-4-one
SMILESNCc1ccccc1C1NC(=O)CO1
InChIInChI=1S/C10H12N2O2/c11-5-7-3-1-2-4-8(7)10-12-9(13)6-14-10/h1-4,10H,5-6,11H2,(H,12,13)
InChIKeyBXOVBIFUCKLXHK-UHFFFAOYSA-N
XLogP0.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-1,3-oxazolidin-4-one?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-1,3-oxazolidin-4-one (CID 18669395) is 2-[2-(aminomethyl)phenyl]-1,3-oxazolidin-4-one.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-1,3-oxazolidin-4-one?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-1,3-oxazolidin-4-one is NCc1ccccc1C1NC(=O)CO1.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-1,3-oxazolidin-4-one?
The InChIKey is BXOVBIFUCKLXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c11-5-7-3-1-2-4-8(7)10-12-9(13)6-14-10/h1-4,10H,5-6,11H2,(H,12,13).
What are the key properties of 2-[2-(aminomethyl)phenyl]-1,3-oxazolidin-4-one?
2-[2-(aminomethyl)phenyl]-1,3-oxazolidin-4-one has a molecular weight of 192.22 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-1,3-oxazolidin-4-one is sourced from PubChem (CID 18669395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).