N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide

C19H22N4O2S — CID 87043617

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1cccc(-n2ccnc2SCC(=O)NCc2nc(C)c(C)o2)c1C
InChIInChI=1S/C19H22N4O2S/c1-12-6-5-7-16(13(12)2)23-9-8-20-19(23)26-11-17(24)21-10-18-22-14(3)15(4)25-18/h5-9H,10-11H2,1-4H3,(H,21,24)
InChIKeyRECKLABOYOHUAV-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.50
Rot. Bonds6

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 87043617) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID87043617
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1cccc(-n2ccnc2SCC(=O)NCc2nc(C)c(C)o2)c1C
InChIInChI=1S/C19H22N4O2S/c1-12-6-5-7-16(13(12)2)23-9-8-20-19(23)26-11-17(24)21-10-18-22-14(3)15(4)25-18/h5-9H,10-11H2,1-4H3,(H,21,24)
InChIKeyRECKLABOYOHUAV-UHFFFAOYSA-N
XLogP3.50
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Methyl-5-[4-[2-[5-phenyl-1-(2,2,2-trifluoroethyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 56236829
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide
CID 87043604
1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-2-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]guanidine
CID 109430055
1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-2-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]guanidine
CID 109430057
1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-3-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-methylguanidine
CID 109430871
1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-3-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-methylguanidine
CID 109431821
5-[4-[2-[1-(2,4-Dimethylphenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile
CID 38745706
5-[4-[2-[1-(3,4-Dimethylphenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile
CID 38745896
2-Methyl-5-[4-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 38745909
5-[4-[2-[1-(2,5-Dimethylphenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile
CID 38745921
2-Methyl-5-[4-[2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 38745930
5-[4-[2-(1-Benzylimidazol-2-yl)sulfanylacetyl]piperazin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile
CID 39129072

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide (CID 87043617) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide is Cc1cccc(-n2ccnc2SCC(=O)NCc2nc(C)c(C)o2)c1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is RECKLABOYOHUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-12-6-5-7-16(13(12)2)23-9-8-20-19(23)26-11-17(24)21-10-18-22-14(3)15(4)25-18/h5-9H,10-11H2,1-4H3,(H,21,24).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 370.48 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 87043617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).