chromium(3+);[2-methyl-6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-methylsulfonylazanide;dichloride

C14H19Cl2CrN2O3S — CID 101378494

IUPACchromium(3+);[2-methyl-6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-methylsulfonylazanide;dichloride
SMILESCc1cccc(C2=N[C@@H](C(C)C)CO2)c1[N-]S(C)(=O)=O.[Cl-].[Cl-].[Cr+3]
InChIInChI=1S/C14H19N2O3S.2ClH.Cr/c1-9(2)12-8-19-14(15-12)11-7-5-6-10(3)13(11)16-20(4,17)18;;;/h5-7,9,12H,8H2,1-4H3;2*1H;/q-1;;;+3/p-2/t12-;;;/m1.../s1
InChIKeyDZOUGZJXQNPERO-CSIATVMVSA-L
MW418.29 g/mol
LogP-3.23
Rot. Bonds4

About chromium(3+);[2-methyl-6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-methylsulfonylazanide;dichloride

chromium(3+);[2-methyl-6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-methylsulfonylazanide;dichloride (PubChem CID 101378494) has the molecular formula C14H19Cl2CrN2O3S and a molecular weight of 418.29 g/mol. Its IUPAC name is chromium(3+);[2-methyl-6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-methylsulfonylazanide;dichloride.

Molecular Properties

Compound Namechromium(3+);[2-methyl-6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-methylsulfonylazanide;dichloride
PubChem CID101378494
Molecular FormulaC14H19Cl2CrN2O3S
Molecular Weight418.29 g/mol
Exact Mass416.99
IUPAC Namechromium(3+);[2-methyl-6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-methylsulfonylazanide;dichloride
SMILESCc1cccc(C2=N[C@@H](C(C)C)CO2)c1[N-]S(C)(=O)=O.[Cl-].[Cl-].[Cr+3]
InChIInChI=1S/C14H19N2O3S.2ClH.Cr/c1-9(2)12-8-19-14(15-12)11-7-5-6-10(3)13(11)16-20(4,17)18;;;/h5-7,9,12H,8H2,1-4H3;2*1H;/q-1;;;+3/p-2/t12-;;;/m1.../s1
InChIKeyDZOUGZJXQNPERO-CSIATVMVSA-L
XLogP-3.23
TPSA69.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.29
LogP ≤ 5-3.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze chromium(3+);[2-methyl-6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-methylsulfonylazanide;dichloride 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 chromium(3+);[2-methyl-6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-methylsulfonylazanide;dichloride?
The IUPAC name of chromium(3+);[2-methyl-6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-methylsulfonylazanide;dichloride (CID 101378494) is chromium(3+);[2-methyl-6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-methylsulfonylazanide;dichloride.
What is the SMILES notation for chromium(3+);[2-methyl-6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-methylsulfonylazanide;dichloride?
The canonical SMILES for chromium(3+);[2-methyl-6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-methylsulfonylazanide;dichloride is Cc1cccc(C2=N[C@@H](C(C)C)CO2)c1[N-]S(C)(=O)=O.[Cl-].[Cl-].[Cr+3].
What is the InChIKey of chromium(3+);[2-methyl-6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-methylsulfonylazanide;dichloride?
The InChIKey is DZOUGZJXQNPERO-CSIATVMVSA-L. The full InChI is InChI=1S/C14H19N2O3S.2ClH.Cr/c1-9(2)12-8-19-14(15-12)11-7-5-6-10(3)13(11)16-20(4,17)18;;;/h5-7,9,12H,8H2,1-4H3;2*1H;/q-1;;;+3/p-2/t12-;;;/m1.../s1.
What are the key properties of chromium(3+);[2-methyl-6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-methylsulfonylazanide;dichloride?
chromium(3+);[2-methyl-6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-methylsulfonylazanide;dichloride has a molecular weight of 418.29 g/mol, XLogP of -3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(3+);[2-methyl-6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-methylsulfonylazanide;dichloride is sourced from PubChem (CID 101378494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).