N-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

C18H23N3O3 — CID 94793728

IUPACN-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESCN1CCO[C@@H](CNC(=O)CCc2ncc(-c3ccccc3)o2)C1
InChIInChI=1S/C18H23N3O3/c1-21-9-10-23-15(13-21)11-19-17(22)7-8-18-20-12-16(24-18)14-5-3-2-4-6-14/h2-6,12,15H,7-11,13H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyPUKSFEFIWIOHFP-HNNXBMFYSA-N
MW329.40 g/mol
LogP1.72
Rot. Bonds6

About N-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

N-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (PubChem CID 94793728) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
PubChem CID94793728
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESCN1CCO[C@@H](CNC(=O)CCc2ncc(-c3ccccc3)o2)C1
InChIInChI=1S/C18H23N3O3/c1-21-9-10-23-15(13-21)11-19-17(22)7-8-18-20-12-16(24-18)14-5-3-2-4-6-14/h2-6,12,15H,7-11,13H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyPUKSFEFIWIOHFP-HNNXBMFYSA-N
XLogP1.72
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The IUPAC name of N-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (CID 94793728) is N-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for N-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The canonical SMILES for N-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is CN1CCO[C@@H](CNC(=O)CCc2ncc(-c3ccccc3)o2)C1.
What is the InChIKey of N-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The InChIKey is PUKSFEFIWIOHFP-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-21-9-10-23-15(13-21)11-19-17(22)7-8-18-20-12-16(24-18)14-5-3-2-4-6-14/h2-6,12,15H,7-11,13H2,1H3,(H,19,22)/t15-/m0/s1.
What are the key properties of N-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 329.40 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 94793728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).