N-[[3-[4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide

C19H23N3O3 — CID 11110612

IUPACN-[[3-[4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CC(c2ccc(C3=CCN(C(C)=O)CC3)cc2)=NO1
InChIInChI=1S/C19H23N3O3/c1-13(23)20-12-18-11-19(21-25-18)17-5-3-15(4-6-17)16-7-9-22(10-8-16)14(2)24/h3-7,18H,8-12H2,1-2H3,(H,20,23)
InChIKeyGTQULBMUHWIQCZ-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.95
Rot. Bonds4

About N-[[3-[4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide

N-[[3-[4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide (PubChem CID 11110612) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[[3-[4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
PubChem CID11110612
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[[3-[4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CC(c2ccc(C3=CCN(C(C)=O)CC3)cc2)=NO1
InChIInChI=1S/C19H23N3O3/c1-13(23)20-12-18-11-19(21-25-18)17-5-3-15(4-6-17)16-7-9-22(10-8-16)14(2)24/h3-7,18H,8-12H2,1-2H3,(H,20,23)
InChIKeyGTQULBMUHWIQCZ-UHFFFAOYSA-N
XLogP1.95
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide (CID 11110612) is N-[[3-[4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide is CC(=O)NCC1CC(c2ccc(C3=CCN(C(C)=O)CC3)cc2)=NO1.
What is the InChIKey of N-[[3-[4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
The InChIKey is GTQULBMUHWIQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13(23)20-12-18-11-19(21-25-18)17-5-3-15(4-6-17)16-7-9-22(10-8-16)14(2)24/h3-7,18H,8-12H2,1-2H3,(H,20,23).
What are the key properties of N-[[3-[4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
N-[[3-[4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide has a molecular weight of 341.41 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide is sourced from PubChem (CID 11110612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).