(R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methylidene]propane-2-sulfinamide

C14H16N2O2S — CID 123995263

IUPAC(R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methylidene]propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N=Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C14H16N2O2S/c1-14(2,3)19(17)15-10-12-9-13(18-16-12)11-7-5-4-6-8-11/h4-10H,1-3H3/t19-/m1/s1
InChIKeyLQRRJKPSKFZUQJ-LJQANCHMSA-N
MW276.36 g/mol
LogP3.22
Rot. Bonds3

About (R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methylidene]propane-2-sulfinamide

(R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methylidene]propane-2-sulfinamide (PubChem CID 123995263) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is (R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methylidene]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methylidene]propane-2-sulfinamide
PubChem CID123995263
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name(R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methylidene]propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N=Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C14H16N2O2S/c1-14(2,3)19(17)15-10-12-9-13(18-16-12)11-7-5-4-6-8-11/h4-10H,1-3H3/t19-/m1/s1
InChIKeyLQRRJKPSKFZUQJ-LJQANCHMSA-N
XLogP3.22
TPSA55.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methylidene]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methylidene]propane-2-sulfinamide (CID 123995263) is (R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methylidene]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methylidene]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methylidene]propane-2-sulfinamide is CC(C)(C)[S@@](=O)N=Cc1cc(-c2ccccc2)on1.
What is the InChIKey of (R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methylidene]propane-2-sulfinamide?
The InChIKey is LQRRJKPSKFZUQJ-LJQANCHMSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-14(2,3)19(17)15-10-12-9-13(18-16-12)11-7-5-4-6-8-11/h4-10H,1-3H3/t19-/m1/s1.
What are the key properties of (R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methylidene]propane-2-sulfinamide?
(R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methylidene]propane-2-sulfinamide has a molecular weight of 276.36 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methylidene]propane-2-sulfinamide is sourced from PubChem (CID 123995263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).