N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C24H18ClN3O5 — CID 50841874

IUPACN-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(Nc1cccc(OCc2nnc(-c3ccc(Cl)cc3)o2)c1)C1COc2ccccc2O1
InChIInChI=1S/C24H18ClN3O5/c25-16-10-8-15(9-11-16)24-28-27-22(33-24)14-30-18-5-3-4-17(12-18)26-23(29)21-13-31-19-6-1-2-7-20(19)32-21/h1-12,21H,13-14H2,(H,26,29)
InChIKeyHSWQPCVXUZQIKJ-UHFFFAOYSA-N
MW463.88 g/mol
LogP4.75
Rot. Bonds6

About N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 50841874) has the molecular formula C24H18ClN3O5 and a molecular weight of 463.88 g/mol. Its IUPAC name is N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID50841874
Molecular FormulaC24H18ClN3O5
Molecular Weight463.88 g/mol
Exact Mass463.09
IUPAC NameN-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(Nc1cccc(OCc2nnc(-c3ccc(Cl)cc3)o2)c1)C1COc2ccccc2O1
InChIInChI=1S/C24H18ClN3O5/c25-16-10-8-15(9-11-16)24-28-27-22(33-24)14-30-18-5-3-4-17(12-18)26-23(29)21-13-31-19-6-1-2-7-20(19)32-21/h1-12,21H,13-14H2,(H,26,29)
InChIKeyHSWQPCVXUZQIKJ-UHFFFAOYSA-N
XLogP4.75
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.88
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-1H-indole-6-carboxamide
CID 50841848
methyl 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate
CID 7671554
N'-[2-(4-chlorophenoxy)acetyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 2788339
N-(3-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4075154
N-(3-cyclopentyloxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 42949307
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 16821917
N-(2-phenoxypyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 122302367
N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]furan-3-carboxamide
CID 50841969
(3S)-N'-[2-(3-methylphenoxy)acetyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 7728635
(3S)-N'-[2-(3-fluorophenoxy)acetyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 7719981
(3S)-N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 35042577
(3R)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 7729139

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 50841874) is N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is O=C(Nc1cccc(OCc2nnc(-c3ccc(Cl)cc3)o2)c1)C1COc2ccccc2O1.
What is the InChIKey of N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is HSWQPCVXUZQIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O5/c25-16-10-8-15(9-11-16)24-28-27-22(33-24)14-30-18-5-3-4-17(12-18)26-23(29)21-13-31-19-6-1-2-7-20(19)32-21/h1-12,21H,13-14H2,(H,26,29).
What are the key properties of N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 463.88 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 50841874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).