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

C14H16N2O2S — CID 2498562

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCc1cc(NC(=O)CSCc2ccccc2C)no1
InChIInChI=1S/C14H16N2O2S/c1-10-5-3-4-6-12(10)8-19-9-14(17)15-13-7-11(2)18-16-13/h3-7H,8-9H2,1-2H3,(H,15,16,17)
InChIKeyFMFVCQQCCOYADZ-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.16
Rot. Bonds5

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

N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methylphenyl)methylsulfanyl]acetamide (PubChem CID 2498562) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
PubChem CID2498562
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCc1cc(NC(=O)CSCc2ccccc2C)no1
InChIInChI=1S/C14H16N2O2S/c1-10-5-3-4-6-12(10)8-19-9-14(17)15-13-7-11(2)18-16-13/h3-7H,8-9H2,1-2H3,(H,15,16,17)
InChIKeyFMFVCQQCCOYADZ-UHFFFAOYSA-N
XLogP3.16
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Soretolide
CID 198730
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 840302
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)acetamide
CID 889538
2-(4-fluorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2106167
N-(5-Methyl-isoxazol-3-yl)-2-(toluene-4-sulfonyl)-acetamide
CID 2969761
N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfanylpropanamide
CID 7254602
2-(6-Amino-4-oxo-1-m-tolyl-1,4-dihydro-pyrimidin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 651484
2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydro-2-pyrimidinyl]thio}-N-(5-methyl-3-isoxazolyl)butanamide
CID 2941476
2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 135420430
1H-2-Benzothiopyran-3-carboxamide, N-(5-methyl-3-isoxazolyl)-1-oxo-
CID 699992
2-methyl-N-(5-methyl-3-isoxazolyl)-3-phenylacrylamide
CID 890161
2-(ethylthio)-N-(5-methyl-3-isoxazolyl)benzamide
CID 970322

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methylphenyl)methylsulfanyl]acetamide (CID 2498562) is N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methylphenyl)methylsulfanyl]acetamide is Cc1cc(NC(=O)CSCc2ccccc2C)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is FMFVCQQCCOYADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-10-5-3-4-6-12(10)8-19-9-14(17)15-13-7-11(2)18-16-13/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-[(2-methylphenyl)methylsulfanyl]acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 276.36 g/mol, XLogP of 3.16, 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-[(2-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 2498562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).