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

C14H16N2O3S — CID 94793005

IUPAC(2R)-2-[(S)-benzylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)[S@@](=O)Cc2ccccc2)no1
InChIInChI=1S/C14H16N2O3S/c1-10-8-13(16-19-10)15-14(17)11(2)20(18)9-12-6-4-3-5-7-12/h3-8,11H,9H2,1-2H3,(H,15,16,17)/t11-,20+/m1/s1
InChIKeyGJSVHSHHJFZGDY-GIPWTMENSA-N
MW292.36 g/mol
LogP2.26
Rot. Bonds5

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

(2R)-2-[(S)-benzylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 94793005) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is (2R)-2-[(S)-benzylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(S)-benzylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID94793005
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name(2R)-2-[(S)-benzylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)[S@@](=O)Cc2ccccc2)no1
InChIInChI=1S/C14H16N2O3S/c1-10-8-13(16-19-10)15-14(17)11(2)20(18)9-12-6-4-3-5-7-12/h3-8,11H,9H2,1-2H3,(H,15,16,17)/t11-,20+/m1/s1
InChIKeyGJSVHSHHJFZGDY-GIPWTMENSA-N
XLogP2.26
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
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(2R)-2-benzylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
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(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfinyl]propanamide
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2-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylbutanamide
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N-(5-methyl-1,2-oxazol-3-yl)-2-phenylsulfanylpropanamide
CID 23914590
N-(2-methoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide
CID 56827638
N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108945355
(2S)-2-[(R)-benzylsulfinyl]-N-(2-fluorophenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(S)-benzylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of (2R)-2-[(S)-benzylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 94793005) is (2R)-2-[(S)-benzylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for (2R)-2-[(S)-benzylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for (2R)-2-[(S)-benzylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)[C@@H](C)[S@@](=O)Cc2ccccc2)no1.
What is the InChIKey of (2R)-2-[(S)-benzylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is GJSVHSHHJFZGDY-GIPWTMENSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-10-8-13(16-19-10)15-14(17)11(2)20(18)9-12-6-4-3-5-7-12/h3-8,11H,9H2,1-2H3,(H,15,16,17)/t11-,20+/m1/s1.
What are the key properties of (2R)-2-[(S)-benzylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
(2R)-2-[(S)-benzylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 292.36 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(S)-benzylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 94793005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).