[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone

C17H19ClN2O3 — CID 48689999

IUPAC[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(-c3ccccc3Cl)on2)CC(C)(C)O1
InChIInChI=1S/C17H19ClN2O3/c1-11-9-20(10-17(2,3)22-11)16(21)14-8-15(23-19-14)12-6-4-5-7-13(12)18/h4-8,11H,9-10H2,1-3H3
InChIKeyBWKSIECUIZOGCZ-UHFFFAOYSA-N
MW334.80 g/mol
LogP3.63
Rot. Bonds2

About [5-(2-chlorophenyl)-1,2-oxazol-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone

[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone (PubChem CID 48689999) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is [5-(2-chlorophenyl)-1,2-oxazol-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone
PubChem CID48689999
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(-c3ccccc3Cl)on2)CC(C)(C)O1
InChIInChI=1S/C17H19ClN2O3/c1-11-9-20(10-17(2,3)22-11)16(21)14-8-15(23-19-14)12-6-4-5-7-13(12)18/h4-8,11H,9-10H2,1-3H3
InChIKeyBWKSIECUIZOGCZ-UHFFFAOYSA-N
XLogP3.63
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [5-(2-chlorophenyl)-1,2-oxazol-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone with MolForge

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Related Compounds

1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256257
(2,5-dichloro-4-pyridinyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 114918341
[1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-(2-methylpyrazol-3-yl)methanone
CID 95799609
[1-(2-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 51099239
thiadiazol-4-yl-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 47432669
1-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]ethanone;ethane
CID 178176313
(3-chloro-2-nitrophenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 79831111
thiophen-2-yl-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 48688223
[5-chloro-2-(methylamino)phenyl]-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 62174797
(2-hydrazinylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 62249835
(3R)-1'-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]-3,5-dimethylspiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-4-one
CID 110063034
[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
CID 1093829

Frequently Asked Questions

What is the IUPAC name of [5-(2-chlorophenyl)-1,2-oxazol-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone?
The IUPAC name of [5-(2-chlorophenyl)-1,2-oxazol-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone (CID 48689999) is [5-(2-chlorophenyl)-1,2-oxazol-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [5-(2-chlorophenyl)-1,2-oxazol-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone?
The canonical SMILES for [5-(2-chlorophenyl)-1,2-oxazol-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cc(-c3ccccc3Cl)on2)CC(C)(C)O1.
What is the InChIKey of [5-(2-chlorophenyl)-1,2-oxazol-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone?
The InChIKey is BWKSIECUIZOGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-11-9-20(10-17(2,3)22-11)16(21)14-8-15(23-19-14)12-6-4-5-7-13(12)18/h4-8,11H,9-10H2,1-3H3.
What are the key properties of [5-(2-chlorophenyl)-1,2-oxazol-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone?
[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone has a molecular weight of 334.80 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chlorophenyl)-1,2-oxazol-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 48689999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).