(2S)-N-methyl-2-[(R)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-phenylpropanamide

C15H18N2O3S — CID 95599519

IUPAC(2S)-N-methyl-2-[(R)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-phenylpropanamide
SMILESCc1cc(C[S@@](=O)[C@@H](C)C(=O)N(C)c2ccccc2)on1
InChIInChI=1S/C15H18N2O3S/c1-11-9-14(20-16-11)10-21(19)12(2)15(18)17(3)13-7-5-4-6-8-13/h4-9,12H,10H2,1-3H3/t12-,21+/m0/s1
InChIKeyGERHUIVXQHVOFN-LAJNKCICSA-N
MW306.39 g/mol
LogP2.28
Rot. Bonds5

About (2S)-N-methyl-2-[(R)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-phenylpropanamide

(2S)-N-methyl-2-[(R)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-phenylpropanamide (PubChem CID 95599519) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is (2S)-N-methyl-2-[(R)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-methyl-2-[(R)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-phenylpropanamide
PubChem CID95599519
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name(2S)-N-methyl-2-[(R)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-phenylpropanamide
SMILESCc1cc(C[S@@](=O)[C@@H](C)C(=O)N(C)c2ccccc2)on1
InChIInChI=1S/C15H18N2O3S/c1-11-9-14(20-16-11)10-21(19)12(2)15(18)17(3)13-7-5-4-6-8-13/h4-9,12H,10H2,1-3H3/t12-,21+/m0/s1
InChIKeyGERHUIVXQHVOFN-LAJNKCICSA-N
XLogP2.28
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-ethyl-2-[(S)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-phenylpropanamide
CID 95599524
[1-(N-methylanilino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
CID 47009502
(2S)-N-methyl-2-[(R)-(2-methylphenyl)methylsulfinyl]-N-phenylpropanamide
CID 95599311
(2S)-2-[(S)-(2-fluorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide
CID 95599423
(2S)-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide
CID 95599553
(2S)-2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide
CID 95599453
N-methyl-N-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfinylpropanamide
CID 75407096
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 53017094
5-[[(S)-(2-fluorophenyl)methylsulfinyl]methyl]-3-methyl-1,2-oxazole
CID 95332582
5-[[(R)-2-(benzenesulfonyl)ethylsulfinyl]methyl]-3-methyl-1,2-oxazole
CID 97252975
N-methyl-2-[(R)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide
CID 97220379
N-(3,4-dimethylphenyl)-2-hydroxy-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-phenylacetamide
CID 66637102

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-2-[(R)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-phenylpropanamide?
The IUPAC name of (2S)-N-methyl-2-[(R)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-phenylpropanamide (CID 95599519) is (2S)-N-methyl-2-[(R)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-phenylpropanamide.
What is the SMILES notation for (2S)-N-methyl-2-[(R)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-phenylpropanamide?
The canonical SMILES for (2S)-N-methyl-2-[(R)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-phenylpropanamide is Cc1cc(C[S@@](=O)[C@@H](C)C(=O)N(C)c2ccccc2)on1.
What is the InChIKey of (2S)-N-methyl-2-[(R)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-phenylpropanamide?
The InChIKey is GERHUIVXQHVOFN-LAJNKCICSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-11-9-14(20-16-11)10-21(19)12(2)15(18)17(3)13-7-5-4-6-8-13/h4-9,12H,10H2,1-3H3/t12-,21+/m0/s1.
What are the key properties of (2S)-N-methyl-2-[(R)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-phenylpropanamide?
(2S)-N-methyl-2-[(R)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-phenylpropanamide has a molecular weight of 306.39 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-2-[(R)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-phenylpropanamide is sourced from PubChem (CID 95599519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).