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

C18H23N3O3 — CID 125176454

IUPACN-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(CC(=O)N[C@@H]2CCCN(Cc3cccc(O)c3)C2)on1
InChIInChI=1S/C18H23N3O3/c1-13-8-17(24-20-13)10-18(23)19-15-5-3-7-21(12-15)11-14-4-2-6-16(22)9-14/h2,4,6,8-9,15,22H,3,5,7,10-12H2,1H3,(H,19,23)/t15-/m1/s1
InChIKeyOCUDBASIICOBPW-OAHLLOKOSA-N
MW329.40 g/mol
LogP2.01
Rot. Bonds5

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

N-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 125176454) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID125176454
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(CC(=O)N[C@@H]2CCCN(Cc3cccc(O)c3)C2)on1
InChIInChI=1S/C18H23N3O3/c1-13-8-17(24-20-13)10-18(23)19-15-5-3-7-21(12-15)11-14-4-2-6-16(22)9-14/h2,4,6,8-9,15,22H,3,5,7,10-12H2,1H3,(H,19,23)/t15-/m1/s1
InChIKeyOCUDBASIICOBPW-OAHLLOKOSA-N
XLogP2.01
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of N-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 125176454) is N-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for N-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for N-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide is Cc1cc(CC(=O)N[C@@H]2CCCN(Cc3cccc(O)c3)C2)on1.
What is the InChIKey of N-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is OCUDBASIICOBPW-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13-8-17(24-20-13)10-18(23)19-15-5-3-7-21(12-15)11-14-4-2-6-16(22)9-14/h2,4,6,8-9,15,22H,3,5,7,10-12H2,1H3,(H,19,23)/t15-/m1/s1.
What are the key properties of N-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
N-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 329.40 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 125176454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).