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

C14H16N2O3S — CID 154772767

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methylphenyl)methylsulfinyl]acetamide
SMILESCc1cccc(CS(=O)CC(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C14H16N2O3S/c1-10-4-3-5-12(6-10)8-20(18)9-14(17)15-13-7-11(2)19-16-13/h3-7H,8-9H2,1-2H3,(H,15,16,17)
InChIKeyFRSZARWRPMLLQR-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.18
Rot. Bonds5

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

N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methylphenyl)methylsulfinyl]acetamide (PubChem CID 154772767) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methylphenyl)methylsulfinyl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methylphenyl)methylsulfinyl]acetamide
PubChem CID154772767
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methylphenyl)methylsulfinyl]acetamide
SMILESCc1cccc(CS(=O)CC(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C14H16N2O3S/c1-10-4-3-5-12(6-10)8-20(18)9-14(17)15-13-7-11(2)19-16-13/h3-7H,8-9H2,1-2H3,(H,15,16,17)
InChIKeyFRSZARWRPMLLQR-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-3-[(3-methylphenyl)methylsulfinyl]propanamide
CID 42953972
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113118715
1-[(3-methylphenyl)methylsulfinyl]butan-2-one
CID 64637584
6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327667
N-benzyl-2-[(R)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]acetamide
CID 95326812
N'-(5-methyl-1,2-oxazol-3-yl)-N-(3-methylphenyl)oxamide
CID 44996030
2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 60507720
(2R)-2-[(S)-benzylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 94793005
2-[[4-(hydroxymethyl)phenyl]methylsulfinyl]-N-[(3-methylphenyl)methyl]acetamide
CID 110005672
N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfinyl]acetamide
CID 95330501
N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108945355
2-[3-(aminomethyl)phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 106485131

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methylphenyl)methylsulfinyl]acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methylphenyl)methylsulfinyl]acetamide (CID 154772767) is N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methylphenyl)methylsulfinyl]acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methylphenyl)methylsulfinyl]acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methylphenyl)methylsulfinyl]acetamide is Cc1cccc(CS(=O)CC(=O)Nc2cc(C)on2)c1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methylphenyl)methylsulfinyl]acetamide?
The InChIKey is FRSZARWRPMLLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-10-4-3-5-12(6-10)8-20(18)9-14(17)15-13-7-11(2)19-16-13/h3-7H,8-9H2,1-2H3,(H,15,16,17).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methylphenyl)methylsulfinyl]acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methylphenyl)methylsulfinyl]acetamide has a molecular weight of 292.36 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methylphenyl)methylsulfinyl]acetamide is sourced from PubChem (CID 154772767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).