5-(aminomethyl)-3-propyl-1,3-oxazolidin-2-one;1,2-dichloro-4-methoxybenzene

C14H20Cl2N2O3 — CID 156723597

IUPAC5-(aminomethyl)-3-propyl-1,3-oxazolidin-2-one;1,2-dichloro-4-methoxybenzene
SMILESCCCN1CC(CN)OC1=O.COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C7H6Cl2O.C7H14N2O2/c1-10-5-2-3-6(8)7(9)4-5;1-2-3-9-5-6(4-8)11-7(9)10/h2-4H,1H3;6H,2-5,8H2,1H3
InChIKeyLVMJVQISJXKWFK-UHFFFAOYSA-N
MW335.23 g/mol
LogP3.18
Rot. Bonds4

About 5-(aminomethyl)-3-propyl-1,3-oxazolidin-2-one;1,2-dichloro-4-methoxybenzene

5-(aminomethyl)-3-propyl-1,3-oxazolidin-2-one;1,2-dichloro-4-methoxybenzene (PubChem CID 156723597) has the molecular formula C14H20Cl2N2O3 and a molecular weight of 335.23 g/mol. Its IUPAC name is 5-(aminomethyl)-3-propyl-1,3-oxazolidin-2-one;1,2-dichloro-4-methoxybenzene.

Molecular Properties

Compound Name5-(aminomethyl)-3-propyl-1,3-oxazolidin-2-one;1,2-dichloro-4-methoxybenzene
PubChem CID156723597
Molecular FormulaC14H20Cl2N2O3
Molecular Weight335.23 g/mol
Exact Mass334.09
IUPAC Name5-(aminomethyl)-3-propyl-1,3-oxazolidin-2-one;1,2-dichloro-4-methoxybenzene
SMILESCCCN1CC(CN)OC1=O.COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C7H6Cl2O.C7H14N2O2/c1-10-5-2-3-6(8)7(9)4-5;1-2-3-9-5-6(4-8)11-7(9)10/h2-4H,1H3;6H,2-5,8H2,1H3
InChIKeyLVMJVQISJXKWFK-UHFFFAOYSA-N
XLogP3.18
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-propyl-1,3-oxazolidin-2-one;1,2-dichloro-4-methoxybenzene?
The IUPAC name of 5-(aminomethyl)-3-propyl-1,3-oxazolidin-2-one;1,2-dichloro-4-methoxybenzene (CID 156723597) is 5-(aminomethyl)-3-propyl-1,3-oxazolidin-2-one;1,2-dichloro-4-methoxybenzene.
What is the SMILES notation for 5-(aminomethyl)-3-propyl-1,3-oxazolidin-2-one;1,2-dichloro-4-methoxybenzene?
The canonical SMILES for 5-(aminomethyl)-3-propyl-1,3-oxazolidin-2-one;1,2-dichloro-4-methoxybenzene is CCCN1CC(CN)OC1=O.COc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-(aminomethyl)-3-propyl-1,3-oxazolidin-2-one;1,2-dichloro-4-methoxybenzene?
The InChIKey is LVMJVQISJXKWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2O.C7H14N2O2/c1-10-5-2-3-6(8)7(9)4-5;1-2-3-9-5-6(4-8)11-7(9)10/h2-4H,1H3;6H,2-5,8H2,1H3.
What are the key properties of 5-(aminomethyl)-3-propyl-1,3-oxazolidin-2-one;1,2-dichloro-4-methoxybenzene?
5-(aminomethyl)-3-propyl-1,3-oxazolidin-2-one;1,2-dichloro-4-methoxybenzene has a molecular weight of 335.23 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-propyl-1,3-oxazolidin-2-one;1,2-dichloro-4-methoxybenzene is sourced from PubChem (CID 156723597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).