5-[[4-[2-[4-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethyl]phenoxy]methyl]-N-phenyl-1,3,4-oxadiazol-2-amine

C32H28N6O4 — CID 42624964

IUPAC5-[[4-[2-[4-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethyl]phenoxy]methyl]-N-phenyl-1,3,4-oxadiazol-2-amine
SMILESc1ccc(Nc2nnc(COc3ccc(CCc4ccc(OCc5nnc(Nc6ccccc6)o5)cc4)cc3)o2)cc1
InChIInChI=1S/C32H28N6O4/c1-3-7-25(8-4-1)33-31-37-35-29(41-31)21-39-27-17-13-23(14-18-27)11-12-24-15-19-28(20-16-24)40-22-30-36-38-32(42-30)34-26-9-5-2-6-10-26/h1-10,13-20H,11-12,21-22H2,(H,33,37)(H,34,38)
InChIKeyXJRSVNGQEKHBQN-UHFFFAOYSA-N
MW560.61 g/mol
LogP6.88
Rot. Bonds13

About 5-[[4-[2-[4-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethyl]phenoxy]methyl]-N-phenyl-1,3,4-oxadiazol-2-amine

5-[[4-[2-[4-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethyl]phenoxy]methyl]-N-phenyl-1,3,4-oxadiazol-2-amine (PubChem CID 42624964) has the molecular formula C32H28N6O4 and a molecular weight of 560.61 g/mol. Its IUPAC name is 5-[[4-[2-[4-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethyl]phenoxy]methyl]-N-phenyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[[4-[2-[4-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethyl]phenoxy]methyl]-N-phenyl-1,3,4-oxadiazol-2-amine
PubChem CID42624964
Molecular FormulaC32H28N6O4
Molecular Weight560.61 g/mol
Exact Mass560.22
IUPAC Name5-[[4-[2-[4-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethyl]phenoxy]methyl]-N-phenyl-1,3,4-oxadiazol-2-amine
SMILESc1ccc(Nc2nnc(COc3ccc(CCc4ccc(OCc5nnc(Nc6ccccc6)o5)cc4)cc3)o2)cc1
InChIInChI=1S/C32H28N6O4/c1-3-7-25(8-4-1)33-31-37-35-29(41-31)21-39-27-17-13-23(14-18-27)11-12-24-15-19-28(20-16-24)40-22-30-36-38-32(42-30)34-26-9-5-2-6-10-26/h1-10,13-20H,11-12,21-22H2,(H,33,37)(H,34,38)
InChIKeyXJRSVNGQEKHBQN-UHFFFAOYSA-N
XLogP6.88
TPSA120.36 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.61
LogP ≤ 56.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-[[4-[2-[4-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethyl]phenoxy]methyl]-N-phenyl-1,3,4-oxadiazol-2-amine with MolForge

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Related Compounds

N-(4-iodophenyl)-5-[(4-phenylphenoxy)methyl]-1,3,4-oxadiazol-2-amine
CID 10073364
2-(phenoxymethyl)-5-[(4-phenoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 110656017
5-[(3,4-dichlorophenyl)methyl]-N-phenyl-1,3,4-oxadiazol-2-amine
CID 101347553
2-(phenoxymethyl)-5-[6-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]hexyl]-1,3,4-oxadiazole
CID 11259075
1-[5-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone
CID 10026869
5-(chloromethyl)-N-(4-propylphenyl)-1,3,4-oxadiazol-2-amine
CID 106956629
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine
CID 75498291
5-(chloromethyl)-N-(3-phenoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 106957175
5-(2-aminoethyl)-N-(4-propylphenyl)-1,3,4-oxadiazol-2-amine
CID 106968865
N-[2-(4-chlorophenyl)ethyl]-5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-amine
CID 110456533
4-chloro-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 11078012
N-(4-ethoxyphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106966280

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-[4-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethyl]phenoxy]methyl]-N-phenyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[[4-[2-[4-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethyl]phenoxy]methyl]-N-phenyl-1,3,4-oxadiazol-2-amine (CID 42624964) is 5-[[4-[2-[4-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethyl]phenoxy]methyl]-N-phenyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[[4-[2-[4-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethyl]phenoxy]methyl]-N-phenyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[[4-[2-[4-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethyl]phenoxy]methyl]-N-phenyl-1,3,4-oxadiazol-2-amine is c1ccc(Nc2nnc(COc3ccc(CCc4ccc(OCc5nnc(Nc6ccccc6)o5)cc4)cc3)o2)cc1.
What is the InChIKey of 5-[[4-[2-[4-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethyl]phenoxy]methyl]-N-phenyl-1,3,4-oxadiazol-2-amine?
The InChIKey is XJRSVNGQEKHBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N6O4/c1-3-7-25(8-4-1)33-31-37-35-29(41-31)21-39-27-17-13-23(14-18-27)11-12-24-15-19-28(20-16-24)40-22-30-36-38-32(42-30)34-26-9-5-2-6-10-26/h1-10,13-20H,11-12,21-22H2,(H,33,37)(H,34,38).
What are the key properties of 5-[[4-[2-[4-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethyl]phenoxy]methyl]-N-phenyl-1,3,4-oxadiazol-2-amine?
5-[[4-[2-[4-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethyl]phenoxy]methyl]-N-phenyl-1,3,4-oxadiazol-2-amine has a molecular weight of 560.61 g/mol, XLogP of 6.88, 13 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-[4-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethyl]phenoxy]methyl]-N-phenyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 42624964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).