2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide

C17H20N2O2S2 — CID 27843163

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide
SMILESCc1noc(C)c1CC(=O)Nc1cccc(C2SCCCS2)c1
InChIInChI=1S/C17H20N2O2S2/c1-11-15(12(2)21-19-11)10-16(20)18-14-6-3-5-13(9-14)17-22-7-4-8-23-17/h3,5-6,9,17H,4,7-8,10H2,1-2H3,(H,18,20)
InChIKeyNIINWZGHBYQWRX-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.34
Rot. Bonds4

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide (PubChem CID 27843163) has the molecular formula C17H20N2O2S2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide
PubChem CID27843163
Molecular FormulaC17H20N2O2S2
Molecular Weight348.49 g/mol
Exact Mass348.10
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide
SMILESCc1noc(C)c1CC(=O)Nc1cccc(C2SCCCS2)c1
InChIInChI=1S/C17H20N2O2S2/c1-11-15(12(2)21-19-11)10-16(20)18-14-6-3-5-13(9-14)17-22-7-4-8-23-17/h3,5-6,9,17H,4,7-8,10H2,1-2H3,(H,18,20)
InChIKeyNIINWZGHBYQWRX-UHFFFAOYSA-N
XLogP4.34
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1,3-dithian-2-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 27843051
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(1,3-dithiolan-2-yl)phenyl]benzamide
CID 26380377
N-[3-(1,3-dithian-2-yl)phenyl]-2-methoxyacetamide
CID 32967833
2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide
CID 38797742
N-(3-cyanophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 17425777
N-[3-(1,3-dithian-2-yl)phenyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 27842838
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-phenoxyphenyl)acetamide
CID 78794827
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]acetamide
CID 164641742
N-[3-(1,3-dithian-2-yl)phenyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 35828015
N-[3-(1,3-dithiolan-2-yl)phenyl]-2-methylsulfanylacetamide
CID 35368286
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide
CID 8832165
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]acetamide
CID 39043000

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide (CID 27843163) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide is Cc1noc(C)c1CC(=O)Nc1cccc(C2SCCCS2)c1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide?
The InChIKey is NIINWZGHBYQWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S2/c1-11-15(12(2)21-19-11)10-16(20)18-14-6-3-5-13(9-14)17-22-7-4-8-23-17/h3,5-6,9,17H,4,7-8,10H2,1-2H3,(H,18,20).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide has a molecular weight of 348.49 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide is sourced from PubChem (CID 27843163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).