5-[(1R,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-3-[[1-(methoxymethyl)cyclopropyl]methyl]-1,2,4-oxadiazole

C19H22N2O4 — CID 124741017

IUPAC5-[(1R,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-3-[[1-(methoxymethyl)cyclopropyl]methyl]-1,2,4-oxadiazole
SMILESCOCC1(Cc2noc([C@@H]3C[C@H]3c3ccc4c(c3)OCCO4)n2)CC1
InChIInChI=1S/C19H22N2O4/c1-22-11-19(4-5-19)10-17-20-18(25-21-17)14-9-13(14)12-2-3-15-16(8-12)24-7-6-23-15/h2-3,8,13-14H,4-7,9-11H2,1H3/t13-,14+/m0/s1
InChIKeyVREAPXRKYFOFHJ-UONOGXRCSA-N
MW342.40 g/mol
LogP3.08
Rot. Bonds6

About 5-[(1R,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-3-[[1-(methoxymethyl)cyclopropyl]methyl]-1,2,4-oxadiazole

5-[(1R,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-3-[[1-(methoxymethyl)cyclopropyl]methyl]-1,2,4-oxadiazole (PubChem CID 124741017) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-[(1R,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-3-[[1-(methoxymethyl)cyclopropyl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1R,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-3-[[1-(methoxymethyl)cyclopropyl]methyl]-1,2,4-oxadiazole
PubChem CID124741017
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name5-[(1R,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-3-[[1-(methoxymethyl)cyclopropyl]methyl]-1,2,4-oxadiazole
SMILESCOCC1(Cc2noc([C@@H]3C[C@H]3c3ccc4c(c3)OCCO4)n2)CC1
InChIInChI=1S/C19H22N2O4/c1-22-11-19(4-5-19)10-17-20-18(25-21-17)14-9-13(14)12-2-3-15-16(8-12)24-7-6-23-15/h2-3,8,13-14H,4-7,9-11H2,1H3/t13-,14+/m0/s1
InChIKeyVREAPXRKYFOFHJ-UONOGXRCSA-N
XLogP3.08
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(1R,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-3-[[1-(methoxymethyl)cyclopropyl]methyl]-1,2,4-oxadiazole with MolForge

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Launch Full Analysis

Related Compounds

1-[5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867748
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-diethylcyclobutan-1-one
CID 81415943
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 81021879
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylcyclobutan-1-ol
CID 81416194
3-[[5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 166235865
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,2,2-triethylcyclobutan-1-amine
CID 81417404
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylcyclobutan-1-amine
CID 81416353
1-[5-[2-(3,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860689
cis-(1S,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxylic acid
CID 39244283
2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxylic acid
CID 43810303
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclobutan-1-amine
CID 81415516
5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-[(3-methoxy-4-methylsulfonylphenyl)methyl]-1,2,4-oxadiazole
CID 166332356

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-3-[[1-(methoxymethyl)cyclopropyl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(1R,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-3-[[1-(methoxymethyl)cyclopropyl]methyl]-1,2,4-oxadiazole (CID 124741017) is 5-[(1R,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-3-[[1-(methoxymethyl)cyclopropyl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1R,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-3-[[1-(methoxymethyl)cyclopropyl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1R,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-3-[[1-(methoxymethyl)cyclopropyl]methyl]-1,2,4-oxadiazole is COCC1(Cc2noc([C@@H]3C[C@H]3c3ccc4c(c3)OCCO4)n2)CC1.
What is the InChIKey of 5-[(1R,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-3-[[1-(methoxymethyl)cyclopropyl]methyl]-1,2,4-oxadiazole?
The InChIKey is VREAPXRKYFOFHJ-UONOGXRCSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-22-11-19(4-5-19)10-17-20-18(25-21-17)14-9-13(14)12-2-3-15-16(8-12)24-7-6-23-15/h2-3,8,13-14H,4-7,9-11H2,1H3/t13-,14+/m0/s1.
What are the key properties of 5-[(1R,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-3-[[1-(methoxymethyl)cyclopropyl]methyl]-1,2,4-oxadiazole?
5-[(1R,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-3-[[1-(methoxymethyl)cyclopropyl]methyl]-1,2,4-oxadiazole has a molecular weight of 342.40 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-3-[[1-(methoxymethyl)cyclopropyl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 124741017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).