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

C15H20N2O2S — CID 170789384

IUPAC(R)-2-methyl-N-[(1R)-1-(2-phenyl-1,3-oxazol-5-yl)ethyl]propane-2-sulfinamide
SMILESC[C@@H](N[S@](=O)C(C)(C)C)c1cnc(-c2ccccc2)o1
InChIInChI=1S/C15H20N2O2S/c1-11(17-20(18)15(2,3)4)13-10-16-14(19-13)12-8-6-5-7-9-12/h5-11,17H,1-4H3/t11-,20-/m1/s1
InChIKeyUSYXOIHYFWGIMA-BIBXISHDSA-N
MW292.40 g/mol
LogP3.45
Rot. Bonds4

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

(R)-2-methyl-N-[(1R)-1-(2-phenyl-1,3-oxazol-5-yl)ethyl]propane-2-sulfinamide (PubChem CID 170789384) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is (R)-2-methyl-N-[(1R)-1-(2-phenyl-1,3-oxazol-5-yl)ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(1R)-1-(2-phenyl-1,3-oxazol-5-yl)ethyl]propane-2-sulfinamide
PubChem CID170789384
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name(R)-2-methyl-N-[(1R)-1-(2-phenyl-1,3-oxazol-5-yl)ethyl]propane-2-sulfinamide
SMILESC[C@@H](N[S@](=O)C(C)(C)C)c1cnc(-c2ccccc2)o1
InChIInChI=1S/C15H20N2O2S/c1-11(17-20(18)15(2,3)4)13-10-16-14(19-13)12-8-6-5-7-9-12/h5-11,17H,1-4H3/t11-,20-/m1/s1
InChIKeyUSYXOIHYFWGIMA-BIBXISHDSA-N
XLogP3.45
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-phenyl-1,3-oxazol-5-yl)ethanol
CID 115087081
2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propane-2-sulfinamide
CID 102512777
2-(2-phenyl-1,3-oxazol-5-yl)propan-1-amine
CID 115087133
(R)-2-methyl-N-(1-quinolin-3-ylethyl)propane-2-sulfinamide
CID 170836453
2-methyl-N-(1-quinolin-3-ylethyl)propane-2-sulfinamide
CID 57431929
5-(dimethoxymethyl)-2-phenyl-1,3-oxazole
CID 177437797
(R)-2-methyl-N-[(1R)-3-methyl-1-[methyl(diphenyl)silyl]butyl]propane-2-sulfinamide
CID 24750122
(R)-2-methyl-N-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]propane-2-sulfinamide
CID 46177997
(R)-2-methyl-N-[(1R)-2-methyl-1-phenylpropyl]propane-2-sulfinamide
CID 15455980
(R)-2-methyl-N-[(1S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]propane-2-sulfinamide
CID 121397426
(R)-2-methyl-N-[(1R)-1-(1,3-oxazol-4-yl)ethyl]propane-2-sulfinamide
CID 129387650
N-[(1R)-3-chloro-1-phenylprop-2-ynyl]-2-methylpropane-2-sulfinamide
CID 122211942

Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(1R)-1-(2-phenyl-1,3-oxazol-5-yl)ethyl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(1R)-1-(2-phenyl-1,3-oxazol-5-yl)ethyl]propane-2-sulfinamide (CID 170789384) is (R)-2-methyl-N-[(1R)-1-(2-phenyl-1,3-oxazol-5-yl)ethyl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(1R)-1-(2-phenyl-1,3-oxazol-5-yl)ethyl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(1R)-1-(2-phenyl-1,3-oxazol-5-yl)ethyl]propane-2-sulfinamide is C[C@@H](N[S@](=O)C(C)(C)C)c1cnc(-c2ccccc2)o1.
What is the InChIKey of (R)-2-methyl-N-[(1R)-1-(2-phenyl-1,3-oxazol-5-yl)ethyl]propane-2-sulfinamide?
The InChIKey is USYXOIHYFWGIMA-BIBXISHDSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-11(17-20(18)15(2,3)4)13-10-16-14(19-13)12-8-6-5-7-9-12/h5-11,17H,1-4H3/t11-,20-/m1/s1.
What are the key properties of (R)-2-methyl-N-[(1R)-1-(2-phenyl-1,3-oxazol-5-yl)ethyl]propane-2-sulfinamide?
(R)-2-methyl-N-[(1R)-1-(2-phenyl-1,3-oxazol-5-yl)ethyl]propane-2-sulfinamide has a molecular weight of 292.40 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(1R)-1-(2-phenyl-1,3-oxazol-5-yl)ethyl]propane-2-sulfinamide is sourced from PubChem (CID 170789384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).