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

C14H17N3O2S — CID 106922312

IUPACN-(3-amino-4-methylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
SMILESCc1ccc(NC(=O)CSc2nc(C)c(C)o2)cc1N
InChIInChI=1S/C14H17N3O2S/c1-8-4-5-11(6-12(8)15)17-13(18)7-20-14-16-9(2)10(3)19-14/h4-6H,7,15H2,1-3H3,(H,17,18)
InChIKeySNMSPLBGWYLCLO-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.91
Rot. Bonds4

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

N-(3-amino-4-methylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide (PubChem CID 106922312) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
PubChem CID106922312
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-(3-amino-4-methylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
SMILESCc1ccc(NC(=O)CSc2nc(C)c(C)o2)cc1N
InChIInChI=1S/C14H17N3O2S/c1-8-4-5-11(6-12(8)15)17-13(18)7-20-14-16-9(2)10(3)19-14/h4-6H,7,15H2,1-3H3,(H,17,18)
InChIKeySNMSPLBGWYLCLO-UHFFFAOYSA-N
XLogP2.91
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3,5-dimethylphenyl)acetamide
CID 39922193
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-phenylacetamide
CID 9456919
N-(3-amino-4-methylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 62305813
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 55518314
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 9423677
butyl 4-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]amino]benzoate
CID 55518313
N-(3-amino-4-methylphenyl)-2-(4-bromophenyl)sulfanylacetamide
CID 43377361
N-(3-amino-4-methylphenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 43376968
2-[2-(3-amino-4-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 114231285
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 39923211
N-(3-amino-4-methylphenyl)-2-pyrazin-2-ylsulfanylacetamide
CID 63381090
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-ethylphenyl)acetamide
CID 6472287

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide (CID 106922312) is N-(3-amino-4-methylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide is Cc1ccc(NC(=O)CSc2nc(C)c(C)o2)cc1N.
What is the InChIKey of N-(3-amino-4-methylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The InChIKey is SNMSPLBGWYLCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-8-4-5-11(6-12(8)15)17-13(18)7-20-14-16-9(2)10(3)19-14/h4-6H,7,15H2,1-3H3,(H,17,18).
What are the key properties of N-(3-amino-4-methylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
N-(3-amino-4-methylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide has a molecular weight of 291.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 106922312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).