3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-(propylaminomethyl)-1,3-oxazolidin-2-one;hydrochloride

C20H24Cl2N2O3 — CID 3069259

IUPAC3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-(propylaminomethyl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCCCNCC1CN(c2ccc(OCc3cccc(Cl)c3)cc2)C(=O)O1.Cl
InChIInChI=1S/C20H23ClN2O3.ClH/c1-2-10-22-12-19-13-23(20(24)26-19)17-6-8-18(9-7-17)25-14-15-4-3-5-16(21)11-15;/h3-9,11,19,22H,2,10,12-14H2,1H3;1H
InChIKeyHNHZMNMOBCDTAB-UHFFFAOYSA-N
MW411.33 g/mol
LogP4.67
Rot. Bonds8

About 3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-(propylaminomethyl)-1,3-oxazolidin-2-one;hydrochloride

3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-(propylaminomethyl)-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 3069259) has the molecular formula C20H24Cl2N2O3 and a molecular weight of 411.33 g/mol. Its IUPAC name is 3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-(propylaminomethyl)-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-(propylaminomethyl)-1,3-oxazolidin-2-one;hydrochloride
PubChem CID3069259
Molecular FormulaC20H24Cl2N2O3
Molecular Weight411.33 g/mol
Exact Mass410.12
IUPAC Name3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-(propylaminomethyl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCCCNCC1CN(c2ccc(OCc3cccc(Cl)c3)cc2)C(=O)O1.Cl
InChIInChI=1S/C20H23ClN2O3.ClH/c1-2-10-22-12-19-13-23(20(24)26-19)17-6-8-18(9-7-17)25-14-15-4-3-5-16(21)11-15;/h3-9,11,19,22H,2,10,12-14H2,1H3;1H
InChIKeyHNHZMNMOBCDTAB-UHFFFAOYSA-N
XLogP4.67
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.33
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-(propylaminomethyl)-1,3-oxazolidin-2-one;hydrochloride?
The IUPAC name of 3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-(propylaminomethyl)-1,3-oxazolidin-2-one;hydrochloride (CID 3069259) is 3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-(propylaminomethyl)-1,3-oxazolidin-2-one;hydrochloride.
What is the SMILES notation for 3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-(propylaminomethyl)-1,3-oxazolidin-2-one;hydrochloride?
The canonical SMILES for 3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-(propylaminomethyl)-1,3-oxazolidin-2-one;hydrochloride is CCCNCC1CN(c2ccc(OCc3cccc(Cl)c3)cc2)C(=O)O1.Cl.
What is the InChIKey of 3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-(propylaminomethyl)-1,3-oxazolidin-2-one;hydrochloride?
The InChIKey is HNHZMNMOBCDTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3.ClH/c1-2-10-22-12-19-13-23(20(24)26-19)17-6-8-18(9-7-17)25-14-15-4-3-5-16(21)11-15;/h3-9,11,19,22H,2,10,12-14H2,1H3;1H.
What are the key properties of 3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-(propylaminomethyl)-1,3-oxazolidin-2-one;hydrochloride?
3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-(propylaminomethyl)-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 411.33 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-(propylaminomethyl)-1,3-oxazolidin-2-one;hydrochloride is sourced from PubChem (CID 3069259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).