2-[5-(1,3-benzodioxol-5-yloxymethyl)furan-2-yl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole

C21H15ClN2O5 — CID 19552807

IUPAC2-[5-(1,3-benzodioxol-5-yloxymethyl)furan-2-yl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole
SMILESClc1cccc(Cc2nnc(-c3ccc(COc4ccc5c(c4)OCO5)o3)o2)c1
InChIInChI=1S/C21H15ClN2O5/c22-14-3-1-2-13(8-14)9-20-23-24-21(29-20)18-7-5-16(28-18)11-25-15-4-6-17-19(10-15)27-12-26-17/h1-8,10H,9,11-12H2
InChIKeyMASIDNMRQFNTDR-UHFFFAOYSA-N
MW410.81 g/mol
LogP4.88
Rot. Bonds6

About 2-[5-(1,3-benzodioxol-5-yloxymethyl)furan-2-yl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole

2-[5-(1,3-benzodioxol-5-yloxymethyl)furan-2-yl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole (PubChem CID 19552807) has the molecular formula C21H15ClN2O5 and a molecular weight of 410.81 g/mol. Its IUPAC name is 2-[5-(1,3-benzodioxol-5-yloxymethyl)furan-2-yl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-(1,3-benzodioxol-5-yloxymethyl)furan-2-yl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole
PubChem CID19552807
Molecular FormulaC21H15ClN2O5
Molecular Weight410.81 g/mol
Exact Mass410.07
IUPAC Name2-[5-(1,3-benzodioxol-5-yloxymethyl)furan-2-yl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole
SMILESClc1cccc(Cc2nnc(-c3ccc(COc4ccc5c(c4)OCO5)o3)o2)c1
InChIInChI=1S/C21H15ClN2O5/c22-14-3-1-2-13(8-14)9-20-23-24-21(29-20)18-7-5-16(28-18)11-25-15-4-6-17-19(10-15)27-12-26-17/h1-8,10H,9,11-12H2
InChIKeyMASIDNMRQFNTDR-UHFFFAOYSA-N
XLogP4.88
TPSA79.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.81
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[5-(1,3-benzodioxol-5-yloxymethyl)furan-2-yl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[(3-chlorophenyl)methyl]-5-[5-(naphthalen-1-yloxymethyl)furan-2-yl]-1,3,4-oxadiazole
CID 19542151
2-[5-(1,3-benzodioxol-5-yloxymethyl)furan-2-yl]-5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazole
CID 19552802
2-[5-(1,3-benzodioxol-5-yloxymethyl)furan-2-yl]-5-[2-(4-nitropyrazol-1-yl)ethyl]-1,3,4-oxadiazole
CID 19552796
2-(1,3-benzodioxol-5-yloxymethyl)-4-chloroaniline
CID 79582670
4-[5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]aniline
CID 19542259
2-[(3-chlorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazole
CID 4777569
5-[5-[(3-chlorophenoxy)methyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 19324415
6-[(3-chlorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol
CID 63097123
5-(1,3-benzodioxol-5-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 19463886
2-[5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 55083746
5-(1,3-benzodioxol-5-ylmethylamino)-2-[5-[(4-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile
CID 16958074
5-(1,3-benzodioxol-5-yloxymethyl)-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide
CID 19465679

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,3-benzodioxol-5-yloxymethyl)furan-2-yl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[5-(1,3-benzodioxol-5-yloxymethyl)furan-2-yl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole (CID 19552807) is 2-[5-(1,3-benzodioxol-5-yloxymethyl)furan-2-yl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-(1,3-benzodioxol-5-yloxymethyl)furan-2-yl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-(1,3-benzodioxol-5-yloxymethyl)furan-2-yl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole is Clc1cccc(Cc2nnc(-c3ccc(COc4ccc5c(c4)OCO5)o3)o2)c1.
What is the InChIKey of 2-[5-(1,3-benzodioxol-5-yloxymethyl)furan-2-yl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole?
The InChIKey is MASIDNMRQFNTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O5/c22-14-3-1-2-13(8-14)9-20-23-24-21(29-20)18-7-5-16(28-18)11-25-15-4-6-17-19(10-15)27-12-26-17/h1-8,10H,9,11-12H2.
What are the key properties of 2-[5-(1,3-benzodioxol-5-yloxymethyl)furan-2-yl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole?
2-[5-(1,3-benzodioxol-5-yloxymethyl)furan-2-yl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole has a molecular weight of 410.81 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,3-benzodioxol-5-yloxymethyl)furan-2-yl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 19552807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).