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

C13H20N2O2S — CID 39922987

IUPACN-cyclohexyl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
SMILESCc1nc(SCC(=O)NC2CCCCC2)oc1C
InChIInChI=1S/C13H20N2O2S/c1-9-10(2)17-13(14-9)18-8-12(16)15-11-6-4-3-5-7-11/h11H,3-8H2,1-2H3,(H,15,16)
InChIKeyYKOLYFKTPCNRDJ-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.83
Rot. Bonds4

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

N-cyclohexyl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide (PubChem CID 39922987) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-cyclohexyl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
PubChem CID39922987
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-cyclohexyl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
SMILESCc1nc(SCC(=O)NC2CCCCC2)oc1C
InChIInChI=1S/C13H20N2O2S/c1-9-10(2)17-13(14-9)18-8-12(16)15-11-6-4-3-5-7-11/h11H,3-8H2,1-2H3,(H,15,16)
InChIKeyYKOLYFKTPCNRDJ-UHFFFAOYSA-N
XLogP2.83
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 56736123
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 47025888
N-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propyl]-2,2,2-trifluoroacetamide
CID 71917028
N-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-2,2,2-trifluoroethanamine
CID 106925967
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 113893957
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropanamide
CID 71684783
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methyl-N-(2-methylcyclohexyl)butanamide
CID 71896980
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(oxan-3-ylmethyl)acetamide
CID 75681958
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]ethylcarbamic acid
CID 54378791
N-(2-adamantyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 9457861
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 9458547
N-tert-butyl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 16484727

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclohexyl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide (CID 39922987) is N-cyclohexyl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide is Cc1nc(SCC(=O)NC2CCCCC2)oc1C.
What is the InChIKey of N-cyclohexyl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The InChIKey is YKOLYFKTPCNRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9-10(2)17-13(14-9)18-8-12(16)15-11-6-4-3-5-7-11/h11H,3-8H2,1-2H3,(H,15,16).
What are the key properties of N-cyclohexyl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
N-cyclohexyl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide has a molecular weight of 268.38 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 39922987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).