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

C19H24N4O3S — CID 24981808

IUPAC2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide
SMILESCc1cc(NC(=O)CSCC(=O)Nc2ccccc2N2CCCCC2)no1
InChIInChI=1S/C19H24N4O3S/c1-14-11-17(22-26-14)21-19(25)13-27-12-18(24)20-15-7-3-4-8-16(15)23-9-5-2-6-10-23/h3-4,7-8,11H,2,5-6,9-10,12-13H2,1H3,(H,20,24)(H,21,22,25)
InChIKeyLXIVXHXPOAHSLL-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.28
Rot. Bonds7

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

2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide (PubChem CID 24981808) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide
PubChem CID24981808
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide
SMILESCc1cc(NC(=O)CSCC(=O)Nc2ccccc2N2CCCCC2)no1
InChIInChI=1S/C19H24N4O3S/c1-14-11-17(22-26-14)21-19(25)13-27-12-18(24)20-15-7-3-4-8-16(15)23-9-5-2-6-10-23/h3-4,7-8,11H,2,5-6,9-10,12-13H2,1H3,(H,20,24)(H,21,22,25)
InChIKeyLXIVXHXPOAHSLL-UHFFFAOYSA-N
XLogP3.28
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide (CID 24981808) is 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide is Cc1cc(NC(=O)CSCC(=O)Nc2ccccc2N2CCCCC2)no1.
What is the InChIKey of 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide?
The InChIKey is LXIVXHXPOAHSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-14-11-17(22-26-14)21-19(25)13-27-12-18(24)20-15-7-3-4-8-16(15)23-9-5-2-6-10-23/h3-4,7-8,11H,2,5-6,9-10,12-13H2,1H3,(H,20,24)(H,21,22,25).
What are the key properties of 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide?
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide has a molecular weight of 388.49 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 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-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 24981808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).