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

C19H23N3O4 — CID 11002826

IUPACN-[[(5S)-3-[4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CC(c2ccc(C3=CCN(C(=O)CO)CC3)cc2)=NO1
InChIInChI=1S/C19H23N3O4/c1-13(24)20-11-17-10-18(21-26-17)16-4-2-14(3-5-16)15-6-8-22(9-7-15)19(25)12-23/h2-6,17,23H,7-12H2,1H3,(H,20,24)/t17-/m0/s1
InChIKeyUZDQAKCZSLBAOL-KRWDZBQOSA-N
MW357.41 g/mol
LogP0.92
Rot. Bonds5

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

N-[[(5S)-3-[4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide (PubChem CID 11002826) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
PubChem CID11002826
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC NameN-[[(5S)-3-[4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CC(c2ccc(C3=CCN(C(=O)CO)CC3)cc2)=NO1
InChIInChI=1S/C19H23N3O4/c1-13(24)20-11-17-10-18(21-26-17)16-4-2-14(3-5-16)15-6-8-22(9-7-15)19(25)12-23/h2-6,17,23H,7-12H2,1H3,(H,20,24)/t17-/m0/s1
InChIKeyUZDQAKCZSLBAOL-KRWDZBQOSA-N
XLogP0.92
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide (CID 11002826) is N-[[(5S)-3-[4-[1-(2-hydroxyacetyl)-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-[[(5S)-3-[4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide is CC(=O)NC[C@@H]1CC(c2ccc(C3=CCN(C(=O)CO)CC3)cc2)=NO1.
What is the InChIKey of N-[[(5S)-3-[4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
The InChIKey is UZDQAKCZSLBAOL-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-13(24)20-11-17-10-18(21-26-17)16-4-2-14(3-5-16)15-6-8-22(9-7-15)19(25)12-23/h2-6,17,23H,7-12H2,1H3,(H,20,24)/t17-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide has a molecular weight of 357.41 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide is sourced from PubChem (CID 11002826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).