N-(3-hydroxyphenyl)-2-[(3R,4S)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide

C23H25N3O3 — CID 40777393

IUPACN-(3-hydroxyphenyl)-2-[(3R,4S)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
SMILESO=C(C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccccc2)on1)Nc1cccc(O)c1
InChIInChI=1S/C23H25N3O3/c27-21-8-4-7-19(13-21)25-23(28)12-17-9-10-24-15-18(17)11-20-14-22(29-26-20)16-5-2-1-3-6-16/h1-8,13-14,17-18,24,27H,9-12,15H2,(H,25,28)/t17-,18-/m0/s1
InChIKeyGUJIFISZJSADQL-ROUUACIJSA-N
MW391.47 g/mol
LogP3.84
Rot. Bonds6

About N-(3-hydroxyphenyl)-2-[(3R,4S)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide

N-(3-hydroxyphenyl)-2-[(3R,4S)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide (PubChem CID 40777393) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-2-[(3R,4S)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-2-[(3R,4S)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
PubChem CID40777393
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-(3-hydroxyphenyl)-2-[(3R,4S)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
SMILESO=C(C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccccc2)on1)Nc1cccc(O)c1
InChIInChI=1S/C23H25N3O3/c27-21-8-4-7-19(13-21)25-23(28)12-17-9-10-24-15-18(17)11-20-14-22(29-26-20)16-5-2-1-3-6-16/h1-8,13-14,17-18,24,27H,9-12,15H2,(H,25,28)/t17-,18-/m0/s1
InChIKeyGUJIFISZJSADQL-ROUUACIJSA-N
XLogP3.84
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-2-[(3R,4S)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-(3-hydroxyphenyl)-2-[(3R,4S)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide (CID 40777393) is N-(3-hydroxyphenyl)-2-[(3R,4S)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-2-[(3R,4S)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-(3-hydroxyphenyl)-2-[(3R,4S)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide is O=C(C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccccc2)on1)Nc1cccc(O)c1.
What is the InChIKey of N-(3-hydroxyphenyl)-2-[(3R,4S)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide?
The InChIKey is GUJIFISZJSADQL-ROUUACIJSA-N. The full InChI is InChI=1S/C23H25N3O3/c27-21-8-4-7-19(13-21)25-23(28)12-17-9-10-24-15-18(17)11-20-14-22(29-26-20)16-5-2-1-3-6-16/h1-8,13-14,17-18,24,27H,9-12,15H2,(H,25,28)/t17-,18-/m0/s1.
What are the key properties of N-(3-hydroxyphenyl)-2-[(3R,4S)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide?
N-(3-hydroxyphenyl)-2-[(3R,4S)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide has a molecular weight of 391.47 g/mol, XLogP of 3.84, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-2-[(3R,4S)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 40777393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).