2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-piperazin-1-ylethyl)acetamide

C14H23N5O3S — CID 119449112

IUPAC2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-piperazin-1-ylethyl)acetamide
SMILESCc1cc(NC(=O)CSCC(=O)NCCN2CCNCC2)no1
InChIInChI=1S/C14H23N5O3S/c1-11-8-12(18-22-11)17-14(21)10-23-9-13(20)16-4-7-19-5-2-15-3-6-19/h8,15H,2-7,9-10H2,1H3,(H,16,20)(H,17,18,21)
InChIKeyIKSFWIUWQBZRSS-UHFFFAOYSA-N
MW341.44 g/mol
LogP-0.32
Rot. Bonds8

About 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-piperazin-1-ylethyl)acetamide

2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-piperazin-1-ylethyl)acetamide (PubChem CID 119449112) has the molecular formula C14H23N5O3S and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-piperazin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-piperazin-1-ylethyl)acetamide
PubChem CID119449112
Molecular FormulaC14H23N5O3S
Molecular Weight341.44 g/mol
Exact Mass341.15
IUPAC Name2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-piperazin-1-ylethyl)acetamide
SMILESCc1cc(NC(=O)CSCC(=O)NCCN2CCNCC2)no1
InChIInChI=1S/C14H23N5O3S/c1-11-8-12(18-22-11)17-14(21)10-23-9-13(20)16-4-7-19-5-2-15-3-6-19/h8,15H,2-7,9-10H2,1H3,(H,16,20)(H,17,18,21)
InChIKeyIKSFWIUWQBZRSS-UHFFFAOYSA-N
XLogP-0.32
TPSA99.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-piperazin-1-ylethyl)acetamide with MolForge

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Related Compounds

2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide
CID 43067045
N-(3-methylbutyl)-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 31334149
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 42999196
N-[2-(ethylamino)ethyl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 119509398
1-(5-methyl-1,2-oxazol-3-yl)-3-(2-pyrrolidin-1-ylethyl)urea
CID 53499685
2-[[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]acetic acid
CID 119171544
N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-morpholin-4-ylethyl)oxamide
CID 18588555
N-(2-piperazin-1-ylethyl)-2-propylsulfanylacetamide
CID 119446583
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[(3R)-3-phenylbutyl]acetamide
CID 52514427
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[2-(4-phenylpiperazin-1-yl)ethylamino]ethyl]sulfanylpropanamide
CID 43066957
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-(2-methylpentan-2-ylamino)-2-oxoethyl]sulfanylacetamide
CID 49416422
N-(2,5-dimethylphenyl)-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 26500071

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-piperazin-1-ylethyl)acetamide?
The IUPAC name of 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-piperazin-1-ylethyl)acetamide (CID 119449112) is 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-piperazin-1-ylethyl)acetamide.
What is the SMILES notation for 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-piperazin-1-ylethyl)acetamide?
The canonical SMILES for 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-piperazin-1-ylethyl)acetamide is Cc1cc(NC(=O)CSCC(=O)NCCN2CCNCC2)no1.
What is the InChIKey of 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-piperazin-1-ylethyl)acetamide?
The InChIKey is IKSFWIUWQBZRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3S/c1-11-8-12(18-22-11)17-14(21)10-23-9-13(20)16-4-7-19-5-2-15-3-6-19/h8,15H,2-7,9-10H2,1H3,(H,16,20)(H,17,18,21).
What are the key properties of 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-piperazin-1-ylethyl)acetamide?
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-piperazin-1-ylethyl)acetamide has a molecular weight of 341.44 g/mol, XLogP of -0.32, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-piperazin-1-ylethyl)acetamide is sourced from PubChem (CID 119449112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).