N-[[(5R)-3-(4-pyridin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide

C17H17N3O2 — CID 11087723

IUPACN-[[(5R)-3-(4-pyridin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CC(c2ccc(-c3ccncc3)cc2)=NO1
InChIInChI=1S/C17H17N3O2/c1-12(21)19-11-16-10-17(20-22-16)15-4-2-13(3-5-15)14-6-8-18-9-7-14/h2-9,16H,10-11H2,1H3,(H,19,21)/t16-/m1/s1
InChIKeyHRVZACOQSFRTKH-MRXNPFEDSA-N
MW295.34 g/mol
LogP2.38
Rot. Bonds4

About N-[[(5R)-3-(4-pyridin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide

N-[[(5R)-3-(4-pyridin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide (PubChem CID 11087723) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[[(5R)-3-(4-pyridin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5R)-3-(4-pyridin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
PubChem CID11087723
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-[[(5R)-3-(4-pyridin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CC(c2ccc(-c3ccncc3)cc2)=NO1
InChIInChI=1S/C17H17N3O2/c1-12(21)19-11-16-10-17(20-22-16)15-4-2-13(3-5-15)14-6-8-18-9-7-14/h2-9,16H,10-11H2,1H3,(H,19,21)/t16-/m1/s1
InChIKeyHRVZACOQSFRTKH-MRXNPFEDSA-N
XLogP2.38
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(5R)-3-(4-pyridin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(5R)-3-(4-pyridin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5R)-3-(4-pyridin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide (CID 11087723) is N-[[(5R)-3-(4-pyridin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5R)-3-(4-pyridin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5R)-3-(4-pyridin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CC(c2ccc(-c3ccncc3)cc2)=NO1.
What is the InChIKey of N-[[(5R)-3-(4-pyridin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
The InChIKey is HRVZACOQSFRTKH-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-12(21)19-11-16-10-17(20-22-16)15-4-2-13(3-5-15)14-6-8-18-9-7-14/h2-9,16H,10-11H2,1H3,(H,19,21)/t16-/m1/s1.
What are the key properties of N-[[(5R)-3-(4-pyridin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
N-[[(5R)-3-(4-pyridin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide has a molecular weight of 295.34 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R)-3-(4-pyridin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide is sourced from PubChem (CID 11087723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).