3-[[(3,4-dichlorophenyl)methylamino]-hydroxy-phosphanyl-λ4-sulfanyl]-1,3-oxazolidin-2-one

C10H13Cl2N2O3PS — CID 90967541

IUPAC3-[[(3,4-dichlorophenyl)methylamino]-hydroxy-phosphanyl-λ4-sulfanyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1S(O)(P)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H13Cl2N2O3PS/c11-8-2-1-7(5-9(8)12)6-13-19(16,18)14-3-4-17-10(14)15/h1-2,5,13,16H,3-4,6,18H2
InChIKeyCSAHAJIMWPJZQR-UHFFFAOYSA-N
MW343.17 g/mol
LogP3.43
Rot. Bonds4

About 3-[[(3,4-dichlorophenyl)methylamino]-hydroxy-phosphanyl-λ4-sulfanyl]-1,3-oxazolidin-2-one

3-[[(3,4-dichlorophenyl)methylamino]-hydroxy-phosphanyl-λ4-sulfanyl]-1,3-oxazolidin-2-one (PubChem CID 90967541) has the molecular formula C10H13Cl2N2O3PS and a molecular weight of 343.17 g/mol. Its IUPAC name is 3-[[(3,4-dichlorophenyl)methylamino]-hydroxy-phosphanyl-λ4-sulfanyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[[(3,4-dichlorophenyl)methylamino]-hydroxy-phosphanyl-λ4-sulfanyl]-1,3-oxazolidin-2-one
PubChem CID90967541
Molecular FormulaC10H13Cl2N2O3PS
Molecular Weight343.17 g/mol
Exact Mass341.98
IUPAC Name3-[[(3,4-dichlorophenyl)methylamino]-hydroxy-phosphanyl-λ4-sulfanyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1S(O)(P)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H13Cl2N2O3PS/c11-8-2-1-7(5-9(8)12)6-13-19(16,18)14-3-4-17-10(14)15/h1-2,5,13,16H,3-4,6,18H2
InChIKeyCSAHAJIMWPJZQR-UHFFFAOYSA-N
XLogP3.43
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.17
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[[(3,4-dichlorophenyl)methylamino]-hydroxy-phosphanyl-λ4-sulfanyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[(3,4-dichlorophenyl)methylamino]-hydroxy-phosphanyl-λ4-sulfanyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[[(3,4-dichlorophenyl)methylamino]-hydroxy-phosphanyl-λ4-sulfanyl]-1,3-oxazolidin-2-one (CID 90967541) is 3-[[(3,4-dichlorophenyl)methylamino]-hydroxy-phosphanyl-λ4-sulfanyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[[(3,4-dichlorophenyl)methylamino]-hydroxy-phosphanyl-λ4-sulfanyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[[(3,4-dichlorophenyl)methylamino]-hydroxy-phosphanyl-λ4-sulfanyl]-1,3-oxazolidin-2-one is O=C1OCCN1S(O)(P)NCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-[[(3,4-dichlorophenyl)methylamino]-hydroxy-phosphanyl-λ4-sulfanyl]-1,3-oxazolidin-2-one?
The InChIKey is CSAHAJIMWPJZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N2O3PS/c11-8-2-1-7(5-9(8)12)6-13-19(16,18)14-3-4-17-10(14)15/h1-2,5,13,16H,3-4,6,18H2.
What are the key properties of 3-[[(3,4-dichlorophenyl)methylamino]-hydroxy-phosphanyl-λ4-sulfanyl]-1,3-oxazolidin-2-one?
3-[[(3,4-dichlorophenyl)methylamino]-hydroxy-phosphanyl-λ4-sulfanyl]-1,3-oxazolidin-2-one has a molecular weight of 343.17 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3,4-dichlorophenyl)methylamino]-hydroxy-phosphanyl-λ4-sulfanyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90967541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).