N-(2-cyanoethyl)-N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide

C11H15N3O2S — CID 106922527

IUPACN-(2-cyanoethyl)-N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide
SMILESCc1coc(SCCC(=O)N(C)CCC#N)n1
InChIInChI=1S/C11H15N3O2S/c1-9-8-16-11(13-9)17-7-4-10(15)14(2)6-3-5-12/h8H,3-4,6-7H2,1-2H3
InChIKeyFATBPGOMPGPYFI-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.84
Rot. Bonds6

About N-(2-cyanoethyl)-N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide

N-(2-cyanoethyl)-N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide (PubChem CID 106922527) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide
PubChem CID106922527
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC NameN-(2-cyanoethyl)-N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide
SMILESCc1coc(SCCC(=O)N(C)CCC#N)n1
InChIInChI=1S/C11H15N3O2S/c1-9-8-16-11(13-9)17-7-4-10(15)14(2)6-3-5-12/h8H,3-4,6-7H2,1-2H3
InChIKeyFATBPGOMPGPYFI-UHFFFAOYSA-N
XLogP1.84
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanoethyl)-N-methyl-3-(5-methylpyrimidin-2-yl)sulfanylpropanamide
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N-(2-cyanoethyl)-N-methyl-3-(4-methylpyrimidin-2-yl)sulfanylpropanamide
CID 55054229
3-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-cyanoethyl)-N-methylpropanamide
CID 43290028
N-(2-cyanoethyl)-3-(3,4-dimethylphenyl)sulfanyl-N-methylpropanamide
CID 43214065
N-(2-cyanoethyl)-3-(2,5-dichlorophenyl)sulfanyl-N-methylpropanamide
CID 43289949
3-(3-chlorophenyl)sulfanyl-N-(2-cyanoethyl)-N-methylpropanamide
CID 62645592
6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanoic acid
CID 106920818
N-(2-cyanoethyl)-N-methyl-3-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 62898450
N-(2-cyanoethyl)-3-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-methylpropanamide
CID 114233668
N-(2-cyanoethyl)-3-(3-hydroxybutan-2-ylsulfanyl)-N-methylpropanamide
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N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide
CID 43289856
ethyl 2-[3-[2-cyanoethyl(methyl)amino]-3-oxopropyl]sulfanylacetate
CID 43618381

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide (CID 106922527) is N-(2-cyanoethyl)-N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide is Cc1coc(SCCC(=O)N(C)CCC#N)n1.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
The InChIKey is FATBPGOMPGPYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-9-8-16-11(13-9)17-7-4-10(15)14(2)6-3-5-12/h8H,3-4,6-7H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
N-(2-cyanoethyl)-N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide has a molecular weight of 253.33 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 106922527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).