2-benzylsulfanyl-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-1,3-oxazole-4-carboxamide

C17H19N3O3S — CID 126830792

IUPAC2-benzylsulfanyl-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-1,3-oxazole-4-carboxamide
SMILESCN(CC(=O)NC1CC1)C(=O)c1coc(SCc2ccccc2)n1
InChIInChI=1S/C17H19N3O3S/c1-20(9-15(21)18-13-7-8-13)16(22)14-10-23-17(19-14)24-11-12-5-3-2-4-6-12/h2-6,10,13H,7-9,11H2,1H3,(H,18,21)
InChIKeyOPQUKJPMVXSRSL-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.32
Rot. Bonds7

About 2-benzylsulfanyl-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-1,3-oxazole-4-carboxamide

2-benzylsulfanyl-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-1,3-oxazole-4-carboxamide (PubChem CID 126830792) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-1,3-oxazole-4-carboxamide
PubChem CID126830792
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name2-benzylsulfanyl-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-1,3-oxazole-4-carboxamide
SMILESCN(CC(=O)NC1CC1)C(=O)c1coc(SCc2ccccc2)n1
InChIInChI=1S/C17H19N3O3S/c1-20(9-15(21)18-13-7-8-13)16(22)14-10-23-17(19-14)24-11-12-5-3-2-4-6-12/h2-6,10,13H,7-9,11H2,1H3,(H,18,21)
InChIKeyOPQUKJPMVXSRSL-UHFFFAOYSA-N
XLogP2.32
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 86907310
5-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]furan-3-carboxylic acid
CID 104607397
N-cyclopropyl-2-phenylacetamide
CID 5175687
6-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpyridazine-3-carboxamide
CID 61042272
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(N-methylanilino)benzamide
CID 78883691
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide
CID 78808757
2-[[2-(1-cyclohexylbenzimidazol-2-yl)sulfanylacetyl]-methylamino]-N-cyclopropylacetamide
CID 41480326
N-cyclopropyl-2-[methyl-[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]acetamide
CID 25337709
3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-phenylpropanoic acid
CID 64567705
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 47013772
2-(2-cyanophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide
CID 78808882
2-[acetyl(1-phenylethyl)amino]-N-cyclopropylacetamide
CID 113161940

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-benzylsulfanyl-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-1,3-oxazole-4-carboxamide (CID 126830792) is 2-benzylsulfanyl-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-benzylsulfanyl-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-1,3-oxazole-4-carboxamide is CN(CC(=O)NC1CC1)C(=O)c1coc(SCc2ccccc2)n1.
What is the InChIKey of 2-benzylsulfanyl-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is OPQUKJPMVXSRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-20(9-15(21)18-13-7-8-13)16(22)14-10-23-17(19-14)24-11-12-5-3-2-4-6-12/h2-6,10,13H,7-9,11H2,1H3,(H,18,21).
What are the key properties of 2-benzylsulfanyl-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-1,3-oxazole-4-carboxamide?
2-benzylsulfanyl-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 126830792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).