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

C19H14N2O4 — CID 53176299

IUPAC1,3-benzodioxol-5-yl-[5-(1,2-oxazol-5-yl)-2,3-dihydroindol-1-yl]methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCc2cc(-c3ccno3)ccc21
InChIInChI=1S/C19H14N2O4/c22-19(14-2-4-17-18(10-14)24-11-23-17)21-8-6-12-9-13(1-3-15(12)21)16-5-7-20-25-16/h1-5,7,9-10H,6,8,11H2
InChIKeySWQOEGBLMQCAMJ-UHFFFAOYSA-N
MW334.33 g/mol
LogP3.27
Rot. Bonds2

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

1,3-benzodioxol-5-yl-[5-(1,2-oxazol-5-yl)-2,3-dihydroindol-1-yl]methanone (PubChem CID 53176299) has the molecular formula C19H14N2O4 and a molecular weight of 334.33 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-[5-(1,2-oxazol-5-yl)-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-[5-(1,2-oxazol-5-yl)-2,3-dihydroindol-1-yl]methanone
PubChem CID53176299
Molecular FormulaC19H14N2O4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC Name1,3-benzodioxol-5-yl-[5-(1,2-oxazol-5-yl)-2,3-dihydroindol-1-yl]methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCc2cc(-c3ccno3)ccc21
InChIInChI=1S/C19H14N2O4/c22-19(14-2-4-17-18(10-14)24-11-23-17)21-8-6-12-9-13(1-3-15(12)21)16-5-7-20-25-16/h1-5,7,9-10H,6,8,11H2
InChIKeySWQOEGBLMQCAMJ-UHFFFAOYSA-N
XLogP3.27
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(1,2-oxazol-5-yl)-2,3-dihydroindol-1-yl]-pyridin-2-ylmethanone
CID 53015001
1-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 45349830
N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1,3-benzodioxole-5-carboxamide
CID 112506085
2-(1,3-benzodioxol-5-yl)-N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]acetamide
CID 1450426
(3,4-dichlorophenyl)-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone
CID 91813767
1,3-benzodioxol-5-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162634923
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-benzodioxole-5-carboxamide
CID 27557623
1,3-benzodioxol-5-yl-(2-methylidenepyrrolidin-1-yl)methanone
CID 163971264
N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 42477526
1-(1,3-benzodioxol-5-yl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea
CID 46384390
(5-methyl-2,3-dihydroindol-1-yl)-(4-methylphenyl)methanone
CID 20793206
[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109258276

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-[5-(1,2-oxazol-5-yl)-2,3-dihydroindol-1-yl]methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-[5-(1,2-oxazol-5-yl)-2,3-dihydroindol-1-yl]methanone (CID 53176299) is 1,3-benzodioxol-5-yl-[5-(1,2-oxazol-5-yl)-2,3-dihydroindol-1-yl]methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-[5-(1,2-oxazol-5-yl)-2,3-dihydroindol-1-yl]methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-[5-(1,2-oxazol-5-yl)-2,3-dihydroindol-1-yl]methanone is O=C(c1ccc2c(c1)OCO2)N1CCc2cc(-c3ccno3)ccc21.
What is the InChIKey of 1,3-benzodioxol-5-yl-[5-(1,2-oxazol-5-yl)-2,3-dihydroindol-1-yl]methanone?
The InChIKey is SWQOEGBLMQCAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4/c22-19(14-2-4-17-18(10-14)24-11-23-17)21-8-6-12-9-13(1-3-15(12)21)16-5-7-20-25-16/h1-5,7,9-10H,6,8,11H2.
What are the key properties of 1,3-benzodioxol-5-yl-[5-(1,2-oxazol-5-yl)-2,3-dihydroindol-1-yl]methanone?
1,3-benzodioxol-5-yl-[5-(1,2-oxazol-5-yl)-2,3-dihydroindol-1-yl]methanone has a molecular weight of 334.33 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-[5-(1,2-oxazol-5-yl)-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 53176299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).