4-(aminomethyl)-3-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one

C8H9ClN2O3 — CID 115102514

IUPAC4-(aminomethyl)-3-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one
SMILESNCC1COC(=O)N1c1ccc(Cl)o1
InChIInChI=1S/C8H9ClN2O3/c9-6-1-2-7(14-6)11-5(3-10)4-13-8(11)12/h1-2,5H,3-4,10H2
InChIKeyLBRDNMVJJCETCO-UHFFFAOYSA-N
MW216.62 g/mol
LogP1.22
Rot. Bonds2

About 4-(aminomethyl)-3-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one

4-(aminomethyl)-3-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one (PubChem CID 115102514) has the molecular formula C8H9ClN2O3 and a molecular weight of 216.62 g/mol. Its IUPAC name is 4-(aminomethyl)-3-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-3-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one
PubChem CID115102514
Molecular FormulaC8H9ClN2O3
Molecular Weight216.62 g/mol
Exact Mass216.03
IUPAC Name4-(aminomethyl)-3-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one
SMILESNCC1COC(=O)N1c1ccc(Cl)o1
InChIInChI=1S/C8H9ClN2O3/c9-6-1-2-7(14-6)11-5(3-10)4-13-8(11)12/h1-2,5H,3-4,10H2
InChIKeyLBRDNMVJJCETCO-UHFFFAOYSA-N
XLogP1.22
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.62
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(hydroxymethyl)-3-(5-methylfuran-2-yl)-1,3-oxazolidin-2-one
CID 115102521
4-(aminomethyl)-3-[(4-chlorophenyl)methyl]-1,3-oxazolidin-2-one
CID 115060232
(4S)-3-(4-chlorophenyl)-4-[(4S)-3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]-1,3-oxazolidin-2-one
CID 11429301
1-[4-[(4S)-4-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carbonitrile
CID 67550411
4-(aminomethyl)-3-[(2-fluorophenyl)methyl]-1,3-oxazolidin-2-one
CID 115060196
4-(2-aminoethyl)-3-[(4-bromophenyl)methyl]-1,3-oxazolidin-2-one
CID 115060239
3-[2-(aminomethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 105458812
(4S)-3-(2-chloropyrimidin-4-yl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 89489980
3-(4-iodophenyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 86025189
4-(2-aminoethyl)-3-[(4-hydroxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 115060240
4-(aminomethyl)-3-(2-chloro-4,6-dimethylphenyl)-1,3-oxazinan-2-one
CID 117010856
3-(4-chlorophenyl)-4-methyl-1,3-oxazolidin-2-one
CID 14268537

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-(aminomethyl)-3-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one (CID 115102514) is 4-(aminomethyl)-3-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-3-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-3-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one is NCC1COC(=O)N1c1ccc(Cl)o1.
What is the InChIKey of 4-(aminomethyl)-3-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one?
The InChIKey is LBRDNMVJJCETCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O3/c9-6-1-2-7(14-6)11-5(3-10)4-13-8(11)12/h1-2,5H,3-4,10H2.
What are the key properties of 4-(aminomethyl)-3-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one?
4-(aminomethyl)-3-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one has a molecular weight of 216.62 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 115102514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).