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

C23H20N2O4 — CID 90504658

IUPAC[1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]cyclopropyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)C1(c2cc(-c3ccc4c(c3)OCO4)on2)CC1
InChIInChI=1S/C23H20N2O4/c1-14-10-15-4-2-3-5-17(15)25(14)22(26)23(8-9-23)21-12-19(29-24-21)16-6-7-18-20(11-16)28-13-27-18/h2-7,11-12,14H,8-10,13H2,1H3
InChIKeyNCDBHEUPXYQUFU-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.08
Rot. Bonds3

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

[1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]cyclopropyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 90504658) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is [1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]cyclopropyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]cyclopropyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID90504658
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name[1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]cyclopropyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)C1(c2cc(-c3ccc4c(c3)OCO4)on2)CC1
InChIInChI=1S/C23H20N2O4/c1-14-10-15-4-2-3-5-17(15)25(14)22(26)23(8-9-23)21-12-19(29-24-21)16-6-7-18-20(11-16)28-13-27-18/h2-7,11-12,14H,8-10,13H2,1H3
InChIKeyNCDBHEUPXYQUFU-UHFFFAOYSA-N
XLogP4.08
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]cyclopropyl]-(2-methyl-2,3-dihydroindol-1-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

[1-(1,3-benzodioxol-5-yl)cyclopropyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 113198975
[1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]cyclopropyl]-(4-benzylpiperidin-1-yl)methanone
CID 90504581
1-[1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperidine-4-carboxamide
CID 90504580
[1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
CID 90504805
2-[[5-(1,3-benzodioxol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 51686859
1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90504763
1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-(3-methylphenyl)cyclopropane-1-carboxamide
CID 90504663
1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-(2-oxothiolan-3-yl)cyclopropane-1-carboxamide
CID 90504804
1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 90504673
(2S)-2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 2529527
6-(1,3-benzodioxol-5-yl)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]pyridazin-3-one
CID 121051181
1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide
CID 90504781

Frequently Asked Questions

What is the IUPAC name of [1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]cyclopropyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]cyclopropyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 90504658) is [1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]cyclopropyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]cyclopropyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]cyclopropyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is CC1Cc2ccccc2N1C(=O)C1(c2cc(-c3ccc4c(c3)OCO4)on2)CC1.
What is the InChIKey of [1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]cyclopropyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is NCDBHEUPXYQUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-14-10-15-4-2-3-5-17(15)25(14)22(26)23(8-9-23)21-12-19(29-24-21)16-6-7-18-20(11-16)28-13-27-18/h2-7,11-12,14H,8-10,13H2,1H3.
What are the key properties of [1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]cyclopropyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
[1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]cyclopropyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 388.42 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]cyclopropyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 90504658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).