N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanylacetamide

C16H19N3O3S — CID 4882938

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanylacetamide
SMILESCc1cc(NC(=O)CSCC(=O)NC(C)c2ccccc2)no1
InChIInChI=1S/C16H19N3O3S/c1-11-8-14(19-22-11)18-16(21)10-23-9-15(20)17-12(2)13-6-4-3-5-7-13/h3-8,12H,9-10H2,1-2H3,(H,17,20)(H,18,19,21)
InChIKeyGBGJFVRPQGILNH-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.53
Rot. Bonds7

About N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanylacetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanylacetamide (PubChem CID 4882938) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanylacetamide
PubChem CID4882938
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanylacetamide
SMILESCc1cc(NC(=O)CSCC(=O)NC(C)c2ccccc2)no1
InChIInChI=1S/C16H19N3O3S/c1-11-8-14(19-22-11)18-16(21)10-23-9-15(20)17-12(2)13-6-4-3-5-7-13/h3-8,12H,9-10H2,1-2H3,(H,17,20)(H,18,19,21)
InChIKeyGBGJFVRPQGILNH-UHFFFAOYSA-N
XLogP2.53
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanylacetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanylacetamide (CID 4882938) is N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanylacetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanylacetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanylacetamide is Cc1cc(NC(=O)CSCC(=O)NC(C)c2ccccc2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanylacetamide?
The InChIKey is GBGJFVRPQGILNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-11-8-14(19-22-11)18-16(21)10-23-9-15(20)17-12(2)13-6-4-3-5-7-13/h3-8,12H,9-10H2,1-2H3,(H,17,20)(H,18,19,21).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanylacetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanylacetamide has a molecular weight of 333.41 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanylacetamide is sourced from PubChem (CID 4882938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).