N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide

C23H27N3O3S — CID 56555149

IUPACN-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
SMILESCc1oc(-c2cccs2)nc1CC(=O)NCc1ccc(CN2CCC(O)CC2)cc1
InChIInChI=1S/C23H27N3O3S/c1-16-20(25-23(29-16)21-3-2-12-30-21)13-22(28)24-14-17-4-6-18(7-5-17)15-26-10-8-19(27)9-11-26/h2-7,12,19,27H,8-11,13-15H2,1H3,(H,24,28)
InChIKeyGESYOBSSGINGAL-UHFFFAOYSA-N
MW425.55 g/mol
LogP3.53
Rot. Bonds7

About N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide

N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide (PubChem CID 56555149) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
PubChem CID56555149
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC NameN-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
SMILESCc1oc(-c2cccs2)nc1CC(=O)NCc1ccc(CN2CCC(O)CC2)cc1
InChIInChI=1S/C23H27N3O3S/c1-16-20(25-23(29-16)21-3-2-12-30-21)13-22(28)24-14-17-4-6-18(7-5-17)15-26-10-8-19(27)9-11-26/h2-7,12,19,27H,8-11,13-15H2,1H3,(H,24,28)
InChIKeyGESYOBSSGINGAL-UHFFFAOYSA-N
XLogP3.53
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide (CID 56555149) is N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide is Cc1oc(-c2cccs2)nc1CC(=O)NCc1ccc(CN2CCC(O)CC2)cc1.
What is the InChIKey of N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The InChIKey is GESYOBSSGINGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-16-20(25-23(29-16)21-3-2-12-30-21)13-22(28)24-14-17-4-6-18(7-5-17)15-26-10-8-19(27)9-11-26/h2-7,12,19,27H,8-11,13-15H2,1H3,(H,24,28).
What are the key properties of N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide has a molecular weight of 425.55 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 56555149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).