2-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone

C19H14ClNO4 — CID 146863052

IUPAC2-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone
SMILESO=C(Cc1ccc(-c2cnco2)c(Cl)c1)C1COc2ccccc2O1
InChIInChI=1S/C19H14ClNO4/c20-14-7-12(5-6-13(14)18-9-21-11-24-18)8-15(22)19-10-23-16-3-1-2-4-17(16)25-19/h1-7,9,11,19H,8,10H2
InChIKeySLFLYCDWIDAXSB-UHFFFAOYSA-N
MW355.78 g/mol
LogP3.95
Rot. Bonds4

About 2-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone

2-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone (PubChem CID 146863052) has the molecular formula C19H14ClNO4 and a molecular weight of 355.78 g/mol. Its IUPAC name is 2-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone.

Molecular Properties

Compound Name2-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone
PubChem CID146863052
Molecular FormulaC19H14ClNO4
Molecular Weight355.78 g/mol
Exact Mass355.06
IUPAC Name2-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone
SMILESO=C(Cc1ccc(-c2cnco2)c(Cl)c1)C1COc2ccccc2O1
InChIInChI=1S/C19H14ClNO4/c20-14-7-12(5-6-13(14)18-9-21-11-24-18)8-15(22)19-10-23-16-3-1-2-4-17(16)25-19/h1-7,9,11,19H,8,10H2
InChIKeySLFLYCDWIDAXSB-UHFFFAOYSA-N
XLogP3.95
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.78
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone with MolForge

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Related Compounds

2-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone
CID 65350693
1-(3,4-dihydro-2H-chromen-3-yl)-2-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]ethanone
CID 165108124
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethylphenyl)ethanone
CID 65350959
(3,4-dichlorophenyl)methyl (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 7861942
(3S)-N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 176592594
2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone
CID 65350801
3-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-oxopropanoic acid
CID 170887001
N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 3880101
(2-chloro-4,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 107475799
potassium 2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 19205447
[3-[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]oxymethyl]phenyl]methyl (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 2107092
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(1H-imidazol-2-yl)ethanone
CID 43341170

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone?
The IUPAC name of 2-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone (CID 146863052) is 2-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone.
What is the SMILES notation for 2-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone?
The canonical SMILES for 2-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone is O=C(Cc1ccc(-c2cnco2)c(Cl)c1)C1COc2ccccc2O1.
What is the InChIKey of 2-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone?
The InChIKey is SLFLYCDWIDAXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO4/c20-14-7-12(5-6-13(14)18-9-21-11-24-18)8-15(22)19-10-23-16-3-1-2-4-17(16)25-19/h1-7,9,11,19H,8,10H2.
What are the key properties of 2-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone?
2-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone has a molecular weight of 355.78 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone is sourced from PubChem (CID 146863052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).