[2,5-dichloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methanone

C23H12Cl4N4O2 — CID 67242804

IUPAC[2,5-dichloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methanone
SMILESO=C(c1noc(-c2ccncc2)n1)c1c(Cl)n(Cc2ccc(Cl)cc2Cl)c2ccc(Cl)cc12
InChIInChI=1S/C23H12Cl4N4O2/c24-14-3-4-18-16(9-14)19(21(27)31(18)11-13-1-2-15(25)10-17(13)26)20(32)22-29-23(33-30-22)12-5-7-28-8-6-12/h1-10H,11H2
InChIKeyYTHNUVXGUCCZNW-UHFFFAOYSA-N
MW518.19 g/mol
LogP6.98
Rot. Bonds5

About [2,5-dichloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methanone

[2,5-dichloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methanone (PubChem CID 67242804) has the molecular formula C23H12Cl4N4O2 and a molecular weight of 518.19 g/mol. Its IUPAC name is [2,5-dichloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methanone.

Molecular Properties

Compound Name[2,5-dichloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methanone
PubChem CID67242804
Molecular FormulaC23H12Cl4N4O2
Molecular Weight518.19 g/mol
Exact Mass515.97
IUPAC Name[2,5-dichloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methanone
SMILESO=C(c1noc(-c2ccncc2)n1)c1c(Cl)n(Cc2ccc(Cl)cc2Cl)c2ccc(Cl)cc12
InChIInChI=1S/C23H12Cl4N4O2/c24-14-3-4-18-16(9-14)19(21(27)31(18)11-13-1-2-15(25)10-17(13)26)20(32)22-29-23(33-30-22)12-5-7-28-8-6-12/h1-10H,11H2
InChIKeyYTHNUVXGUCCZNW-UHFFFAOYSA-N
XLogP6.98
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.19
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2,5-dichloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methanone?
The IUPAC name of [2,5-dichloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methanone (CID 67242804) is [2,5-dichloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methanone.
What is the SMILES notation for [2,5-dichloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methanone?
The canonical SMILES for [2,5-dichloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methanone is O=C(c1noc(-c2ccncc2)n1)c1c(Cl)n(Cc2ccc(Cl)cc2Cl)c2ccc(Cl)cc12.
What is the InChIKey of [2,5-dichloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methanone?
The InChIKey is YTHNUVXGUCCZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12Cl4N4O2/c24-14-3-4-18-16(9-14)19(21(27)31(18)11-13-1-2-15(25)10-17(13)26)20(32)22-29-23(33-30-22)12-5-7-28-8-6-12/h1-10H,11H2.
What are the key properties of [2,5-dichloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methanone?
[2,5-dichloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methanone has a molecular weight of 518.19 g/mol, XLogP of 6.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-dichloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methanone is sourced from PubChem (CID 67242804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).