2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;5-tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one;2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one

C32H44Cl3N4O9P — CID 70134707

IUPAC2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;5-tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one;2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
SMILESCC(C)Oc1cc(-n2nc(C(C)(C)C)oc2=O)c(Cl)cc1Cl.CC1(C)CON(Cc2ccccc2Cl)C1=O.CP(=O)(O)CCC(N)C(=O)O
InChIInChI=1S/C15H18Cl2N2O3.C12H14ClNO2.C5H12NO4P/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5;1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13;1-11(9,10)3-2-4(6)5(7)8/h6-8H,1-5H3;3-6H,7-8H2,1-2H3;4H,2-3,6H2,1H3,(H,7,8)(H,9,10)
InChIKeyHUGBYICGDWTJIO-UHFFFAOYSA-N
MW766.06 g/mol
LogP6.55
Rot. Bonds9

About 2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;5-tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one;2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one

2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;5-tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one;2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one (PubChem CID 70134707) has the molecular formula C32H44Cl3N4O9P and a molecular weight of 766.06 g/mol. Its IUPAC name is 2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;5-tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one;2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;5-tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one;2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
PubChem CID70134707
Molecular FormulaC32H44Cl3N4O9P
Molecular Weight766.06 g/mol
Exact Mass764.19
IUPAC Name2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;5-tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one;2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
SMILESCC(C)Oc1cc(-n2nc(C(C)(C)C)oc2=O)c(Cl)cc1Cl.CC1(C)CON(Cc2ccccc2Cl)C1=O.CP(=O)(O)CCC(N)C(=O)O
InChIInChI=1S/C15H18Cl2N2O3.C12H14ClNO2.C5H12NO4P/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5;1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13;1-11(9,10)3-2-4(6)5(7)8/h6-8H,1-5H3;3-6H,7-8H2,1-2H3;4H,2-3,6H2,1H3,(H,7,8)(H,9,10)
InChIKeyHUGBYICGDWTJIO-UHFFFAOYSA-N
XLogP6.55
TPSA187.42 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.06
LogP ≤ 56.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;5-tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one;2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-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 2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;5-tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one;2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?
The IUPAC name of 2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;5-tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one;2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one (CID 70134707) is 2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;5-tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one;2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;5-tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one;2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?
The canonical SMILES for 2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;5-tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one;2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one is CC(C)Oc1cc(-n2nc(C(C)(C)C)oc2=O)c(Cl)cc1Cl.CC1(C)CON(Cc2ccccc2Cl)C1=O.CP(=O)(O)CCC(N)C(=O)O.
What is the InChIKey of 2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;5-tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one;2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?
The InChIKey is HUGBYICGDWTJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O3.C12H14ClNO2.C5H12NO4P/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5;1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13;1-11(9,10)3-2-4(6)5(7)8/h6-8H,1-5H3;3-6H,7-8H2,1-2H3;4H,2-3,6H2,1H3,(H,7,8)(H,9,10).
What are the key properties of 2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;5-tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one;2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?
2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;5-tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one;2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one has a molecular weight of 766.06 g/mol, XLogP of 6.55, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;5-tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one;2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one is sourced from PubChem (CID 70134707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).