N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]sulfanylpropanamide

C16H26N4O3S — CID 119559318

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]sulfanylpropanamide
SMILESCc1cc(NC(=O)C(C)SCC(=O)NCCC2CCCNC2)no1
InChIInChI=1S/C16H26N4O3S/c1-11-8-14(20-23-11)19-16(22)12(2)24-10-15(21)18-7-5-13-4-3-6-17-9-13/h8,12-13,17H,3-7,9-10H2,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyUYHFTFGTGMVRQP-UHFFFAOYSA-N
MW354.48 g/mol
LogP1.55
Rot. Bonds8

About N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]sulfanylpropanamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]sulfanylpropanamide (PubChem CID 119559318) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]sulfanylpropanamide
PubChem CID119559318
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]sulfanylpropanamide
SMILESCc1cc(NC(=O)C(C)SCC(=O)NCCC2CCCNC2)no1
InChIInChI=1S/C16H26N4O3S/c1-11-8-14(20-23-11)19-16(22)12(2)24-10-15(21)18-7-5-13-4-3-6-17-9-13/h8,12-13,17H,3-7,9-10H2,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyUYHFTFGTGMVRQP-UHFFFAOYSA-N
XLogP1.55
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[3-(methylamino)propylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 119434077
2-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 119509355
2-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 17408045
(2R)-2-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40714205
2-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 119478913
2-[2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride
CID 120658376
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119556120
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[2-(4-phenylpiperazin-1-yl)ethylamino]ethyl]sulfanylpropanamide
CID 43066957
(2S)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 7733721
2-[2-(methoxyamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51074464
2-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 43060840
N-methyl-1-[2-[[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]acetyl]pyrrolidine-2-carboxamide
CID 56534129

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]sulfanylpropanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]sulfanylpropanamide (CID 119559318) is N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]sulfanylpropanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]sulfanylpropanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]sulfanylpropanamide is Cc1cc(NC(=O)C(C)SCC(=O)NCCC2CCCNC2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]sulfanylpropanamide?
The InChIKey is UYHFTFGTGMVRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-11-8-14(20-23-11)19-16(22)12(2)24-10-15(21)18-7-5-13-4-3-6-17-9-13/h8,12-13,17H,3-7,9-10H2,1-2H3,(H,18,21)(H,19,20,22).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]sulfanylpropanamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]sulfanylpropanamide has a molecular weight of 354.48 g/mol, XLogP of 1.55, 8 rotatable bonds, 3 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-(2-piperidin-3-ylethylamino)ethyl]sulfanylpropanamide is sourced from PubChem (CID 119559318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).