N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetamide

C18H22N4O3S — CID 2473486

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetamide
SMILESCc1cc(NC(=O)CSCC(=O)N2CCN(c3ccccc3)CC2)no1
InChIInChI=1S/C18H22N4O3S/c1-14-11-16(20-25-14)19-17(23)12-26-13-18(24)22-9-7-21(8-10-22)15-5-3-2-4-6-15/h2-6,11H,7-10,12-13H2,1H3,(H,19,20,23)
InChIKeyZELATSJMWKXHHR-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.00
Rot. Bonds6

About N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetamide (PubChem CID 2473486) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetamide
PubChem CID2473486
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetamide
SMILESCc1cc(NC(=O)CSCC(=O)N2CCN(c3ccccc3)CC2)no1
InChIInChI=1S/C18H22N4O3S/c1-14-11-16(20-25-14)19-17(23)12-26-13-18(24)22-9-7-21(8-10-22)15-5-3-2-4-6-15/h2-6,11H,7-10,12-13H2,1H3,(H,19,20,23)
InChIKeyZELATSJMWKXHHR-UHFFFAOYSA-N
XLogP2.00
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetamide (CID 2473486) is N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetamide is Cc1cc(NC(=O)CSCC(=O)N2CCN(c3ccccc3)CC2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetamide?
The InChIKey is ZELATSJMWKXHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-14-11-16(20-25-14)19-17(23)12-26-13-18(24)22-9-7-21(8-10-22)15-5-3-2-4-6-15/h2-6,11H,7-10,12-13H2,1H3,(H,19,20,23).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetamide has a molecular weight of 374.47 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetamide is sourced from PubChem (CID 2473486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).