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

C14H16N2O3S — CID 95326812

IUPACN-benzyl-2-[(R)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]acetamide
SMILESCc1cc(C[S@@](=O)CC(=O)NCc2ccccc2)no1
InChIInChI=1S/C14H16N2O3S/c1-11-7-13(16-19-11)9-20(18)10-14(17)15-8-12-5-3-2-4-6-12/h2-7H,8-10H2,1H3,(H,15,17)/t20-/m1/s1
InChIKeyRTPAZILXWMEQNX-HXUWFJFHSA-N
MW292.36 g/mol
LogP1.55
Rot. Bonds6

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

N-benzyl-2-[(R)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]acetamide (PubChem CID 95326812) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-benzyl-2-[(R)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(R)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]acetamide
PubChem CID95326812
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-benzyl-2-[(R)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]acetamide
SMILESCc1cc(C[S@@](=O)CC(=O)NCc2ccccc2)no1
InChIInChI=1S/C14H16N2O3S/c1-11-7-13(16-19-11)9-20(18)10-14(17)15-8-12-5-3-2-4-6-12/h2-7H,8-10H2,1H3,(H,15,17)/t20-/m1/s1
InChIKeyRTPAZILXWMEQNX-HXUWFJFHSA-N
XLogP1.55
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108945355
2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 110410763
N-benzyl-2-[(4-fluorophenyl)methylsulfinyl]acetamide
CID 123100558
N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methylphenyl)methylsulfinyl]acetamide
CID 154772767
N-benzyl-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylsulfinyl)acetamide
CID 71878711
N-benzyl-2-[(S)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]acetamide
CID 96548273
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-benzylpropanamide
CID 113135674
3-[[(S)-(2-chlorophenyl)methylsulfinyl]methyl]-5-methyl-1,2-oxazole
CID 95593609
3-[[(S)-(2-fluorophenyl)methylsulfinyl]methyl]-5-methyl-1,2-oxazole
CID 95593610
2-[4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]phenyl]propanoic acid
CID 103243740
5-methyl-3-[[(S)-[3-(trifluoromethyl)phenyl]methylsulfinyl]methyl]-1,2-oxazole
CID 95593600
2-[[4-(hydroxymethyl)phenyl]methylsulfinyl]-N-[(3-methylphenyl)methyl]acetamide
CID 110005672

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(R)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]acetamide?
The IUPAC name of N-benzyl-2-[(R)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]acetamide (CID 95326812) is N-benzyl-2-[(R)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]acetamide.
What is the SMILES notation for N-benzyl-2-[(R)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]acetamide?
The canonical SMILES for N-benzyl-2-[(R)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]acetamide is Cc1cc(C[S@@](=O)CC(=O)NCc2ccccc2)no1.
What is the InChIKey of N-benzyl-2-[(R)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]acetamide?
The InChIKey is RTPAZILXWMEQNX-HXUWFJFHSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-11-7-13(16-19-11)9-20(18)10-14(17)15-8-12-5-3-2-4-6-12/h2-7H,8-10H2,1H3,(H,15,17)/t20-/m1/s1.
What are the key properties of N-benzyl-2-[(R)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]acetamide?
N-benzyl-2-[(R)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]acetamide has a molecular weight of 292.36 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(R)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]acetamide is sourced from PubChem (CID 95326812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).