[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(3-phenylmorpholin-4-yl)methanone

C21H18N2O5 — CID 146229731

IUPAC[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(3-phenylmorpholin-4-yl)methanone
SMILESO=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCOCC1c1ccccc1
InChIInChI=1S/C21H18N2O5/c24-21(23-8-9-25-12-17(23)14-4-2-1-3-5-14)16-11-19(28-22-16)15-6-7-18-20(10-15)27-13-26-18/h1-7,10-11,17H,8-9,12-13H2
InChIKeyPUHPHVABVBXFOP-UHFFFAOYSA-N
MW378.38 g/mol
LogP3.28
Rot. Bonds3

About [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(3-phenylmorpholin-4-yl)methanone

[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(3-phenylmorpholin-4-yl)methanone (PubChem CID 146229731) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(3-phenylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(3-phenylmorpholin-4-yl)methanone
PubChem CID146229731
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC Name[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(3-phenylmorpholin-4-yl)methanone
SMILESO=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCOCC1c1ccccc1
InChIInChI=1S/C21H18N2O5/c24-21(23-8-9-25-12-17(23)14-4-2-1-3-5-14)16-11-19(28-22-16)15-6-7-18-20(10-15)27-13-26-18/h1-7,10-11,17H,8-9,12-13H2
InChIKeyPUHPHVABVBXFOP-UHFFFAOYSA-N
XLogP3.28
TPSA74.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(3-phenylmorpholin-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 51694751
2-[1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]benzonitrile
CID 146230063
4-[2-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
CID 119216582
[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 146230021
[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
CID 3539452
[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(3,4-difluorophenyl)piperidin-1-yl]methanone
CID 146230214
[(3S,4R)-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]pyrrolidin-3-yl]-[(3S)-3-phenylmorpholin-4-yl]methanone
CID 59563610
[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(4-isocyanophenyl)piperidin-1-yl]methanone
CID 153446459
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(3-methylmorpholin-4-yl)methanone
CID 176716360
(4-fluorophenyl)-(3-phenylmorpholin-4-yl)methanone
CID 110728336
[2-(4-fluorophenyl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 70770427
N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide
CID 27370128

Frequently Asked Questions

What is the IUPAC name of [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(3-phenylmorpholin-4-yl)methanone?
The IUPAC name of [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(3-phenylmorpholin-4-yl)methanone (CID 146229731) is [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(3-phenylmorpholin-4-yl)methanone.
What is the SMILES notation for [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(3-phenylmorpholin-4-yl)methanone?
The canonical SMILES for [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(3-phenylmorpholin-4-yl)methanone is O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCOCC1c1ccccc1.
What is the InChIKey of [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(3-phenylmorpholin-4-yl)methanone?
The InChIKey is PUHPHVABVBXFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5/c24-21(23-8-9-25-12-17(23)14-4-2-1-3-5-14)16-11-19(28-22-16)15-6-7-18-20(10-15)27-13-26-18/h1-7,10-11,17H,8-9,12-13H2.
What are the key properties of [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(3-phenylmorpholin-4-yl)methanone?
[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(3-phenylmorpholin-4-yl)methanone has a molecular weight of 378.38 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(3-phenylmorpholin-4-yl)methanone is sourced from PubChem (CID 146229731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).