2-benzylsulfanyl-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide

C19H18N2O2S — CID 7594665

IUPAC2-benzylsulfanyl-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
SMILESCc1ccc(-c2cc(NC(=O)CSCc3ccccc3)on2)cc1
InChIInChI=1S/C19H18N2O2S/c1-14-7-9-16(10-8-14)17-11-19(23-21-17)20-18(22)13-24-12-15-5-3-2-4-6-15/h2-11H,12-13H2,1H3,(H,20,22)
InChIKeyMKGQUXSCTYOHHR-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.52
Rot. Bonds6

About 2-benzylsulfanyl-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide

2-benzylsulfanyl-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide (PubChem CID 7594665) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
PubChem CID7594665
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name2-benzylsulfanyl-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
SMILESCc1ccc(-c2cc(NC(=O)CSCc3ccccc3)on2)cc1
InChIInChI=1S/C19H18N2O2S/c1-14-7-9-16(10-8-14)17-11-19(23-21-17)20-18(22)13-24-12-15-5-3-2-4-6-15/h2-11H,12-13H2,1H3,(H,20,22)
InChIKeyMKGQUXSCTYOHHR-UHFFFAOYSA-N
XLogP4.52
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl-methyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]azanium
CID 9346071
N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 9345947
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 56544891
N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 7518835
2-[(3-methoxyphenyl)methylsulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 49153538
N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 9347048
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
CID 9346296
2-phenylsulfanyl-N-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetamide
CID 91938869
2-benzylsulfanyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 41213085
[2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]azanium
CID 9347968
[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 7517994
2-[(4-methylphenyl)methylsulfanyl]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 28633748

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide (CID 7594665) is 2-benzylsulfanyl-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide is Cc1ccc(-c2cc(NC(=O)CSCc3ccccc3)on2)cc1.
What is the InChIKey of 2-benzylsulfanyl-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide?
The InChIKey is MKGQUXSCTYOHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-14-7-9-16(10-8-14)17-11-19(23-21-17)20-18(22)13-24-12-15-5-3-2-4-6-15/h2-11H,12-13H2,1H3,(H,20,22).
What are the key properties of 2-benzylsulfanyl-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide?
2-benzylsulfanyl-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide has a molecular weight of 338.43 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 7594665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).