2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C16H16N4O3S — CID 4612901

IUPAC2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1cccc(-n2ccnc2SCC(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C16H16N4O3S/c1-11-8-14(19-23-11)18-15(21)10-24-16-17-6-7-20(16)12-4-3-5-13(9-12)22-2/h3-9H,10H2,1-2H3,(H,18,19,21)
InChIKeyVPVUPMJTXCFVSR-UHFFFAOYSA-N
MW344.40 g/mol
LogP2.91
Rot. Bonds6

About 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 4612901) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID4612901
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1cccc(-n2ccnc2SCC(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C16H16N4O3S/c1-11-8-14(19-23-11)18-15(21)10-24-16-17-6-7-20(16)12-4-3-5-13(9-12)22-2/h3-9H,10H2,1-2H3,(H,18,19,21)
InChIKeyVPVUPMJTXCFVSR-UHFFFAOYSA-N
XLogP2.91
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2092108
2-[1-(2-Methoxy-ethyl)-5-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 654066
2-((1-(3-methoxyphenyl)-1H-imidazol-2-yl)thio)-N-phenylacetamide
CID 866704
2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2124790
N-(3-methoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 3244086
N-(4-methoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 3244885
N-(5-methylisoxazol-3-yl)-2-((1-(4-nitrophenyl)-1H-imidazol-2-yl)thio)acetamide
CID 4142176
2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 16318957
2-((1-cyclopentyl-1H-imidazol-2-yl)thio)-N-(3-methoxyphenyl)acetamide
CID 16033177
2-((1-(4-fluorophenyl)-1H-imidazol-2-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CID 3238529
2-{[1-(4-ethoxyphenyl)-1H-imidazol-2-yl]thio}-N-(5-methylisoxazol-3-yl)acetamide
CID 3296306
N-(2-fluorophenyl)-2-{[1-(3-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl}acetamide
CID 3669736

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 4612901) is 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is COc1cccc(-n2ccnc2SCC(=O)Nc2cc(C)on2)c1.
What is the InChIKey of 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is VPVUPMJTXCFVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-11-8-14(19-23-11)18-15(21)10-24-16-17-6-7-20(16)12-4-3-5-13(9-12)22-2/h3-9H,10H2,1-2H3,(H,18,19,21).
What are the key properties of 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 344.40 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 4612901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).