N-[[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide

C14H21N3O2 — CID 50962607

IUPACN-[[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide
SMILESCCc1cc(CN2CCC=C(CNC(C)=O)C2)on1
InChIInChI=1S/C14H21N3O2/c1-3-13-7-14(19-16-13)10-17-6-4-5-12(9-17)8-15-11(2)18/h5,7H,3-4,6,8-10H2,1-2H3,(H,15,18)
InChIKeyJPJSPUJAAKFRLK-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.51
Rot. Bonds5

About N-[[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide

N-[[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide (PubChem CID 50962607) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide
PubChem CID50962607
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide
SMILESCCc1cc(CN2CCC=C(CNC(C)=O)C2)on1
InChIInChI=1S/C14H21N3O2/c1-3-13-7-14(19-16-13)10-17-6-4-5-12(9-17)8-15-11(2)18/h5,7H,3-4,6,8-10H2,1-2H3,(H,15,18)
InChIKeyJPJSPUJAAKFRLK-UHFFFAOYSA-N
XLogP1.51
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide?
The IUPAC name of N-[[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide (CID 50962607) is N-[[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide is CCc1cc(CN2CCC=C(CNC(C)=O)C2)on1.
What is the InChIKey of N-[[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide?
The InChIKey is JPJSPUJAAKFRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-13-7-14(19-16-13)10-17-6-4-5-12(9-17)8-15-11(2)18/h5,7H,3-4,6,8-10H2,1-2H3,(H,15,18).
What are the key properties of N-[[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide?
N-[[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide has a molecular weight of 263.34 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide is sourced from PubChem (CID 50962607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).