[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanone

C25H18Cl2N4O3 — CID 67244288

IUPAC[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanone
SMILESCCOc1ccc2c(c1)c(C(=O)c1nc(-c3cccnc3)no1)c(Cl)n2Cc1ccc(Cl)cc1
InChIInChI=1S/C25H18Cl2N4O3/c1-2-33-18-9-10-20-19(12-18)21(23(27)31(20)14-15-5-7-17(26)8-6-15)22(32)25-29-24(30-34-25)16-4-3-11-28-13-16/h3-13H,2,14H2,1H3
InChIKeyDUHXXAHBQUHESE-UHFFFAOYSA-N
MW493.35 g/mol
LogP6.07
Rot. Bonds7

About [2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanone

[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanone (PubChem CID 67244288) has the molecular formula C25H18Cl2N4O3 and a molecular weight of 493.35 g/mol. Its IUPAC name is [2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanone.

Molecular Properties

Compound Name[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanone
PubChem CID67244288
Molecular FormulaC25H18Cl2N4O3
Molecular Weight493.35 g/mol
Exact Mass492.08
IUPAC Name[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanone
SMILESCCOc1ccc2c(c1)c(C(=O)c1nc(-c3cccnc3)no1)c(Cl)n2Cc1ccc(Cl)cc1
InChIInChI=1S/C25H18Cl2N4O3/c1-2-33-18-9-10-20-19(12-18)21(23(27)31(20)14-15-5-7-17(26)8-6-15)22(32)25-29-24(30-34-25)16-4-3-11-28-13-16/h3-13H,2,14H2,1H3
InChIKeyDUHXXAHBQUHESE-UHFFFAOYSA-N
XLogP6.07
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.35
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[(4-chlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanone
CID 67243743
[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanone
CID 24969528
[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone
CID 67244900
[1-[(4-chlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methanone
CID 67244494
[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-ethoxyindol-3-yl]-(5-pyridin-3-yl-1,3-oxazol-2-yl)methanone
CID 67243935
[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone
CID 67244337
[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone
CID 67243175
[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanone
CID 67246558
[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone
CID 67244862
[2,5-dichloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)methanone
CID 67244935
[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanone
CID 67244712
[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methanone
CID 67243829

Frequently Asked Questions

What is the IUPAC name of [2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanone?
The IUPAC name of [2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanone (CID 67244288) is [2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanone.
What is the SMILES notation for [2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanone?
The canonical SMILES for [2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanone is CCOc1ccc2c(c1)c(C(=O)c1nc(-c3cccnc3)no1)c(Cl)n2Cc1ccc(Cl)cc1.
What is the InChIKey of [2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanone?
The InChIKey is DUHXXAHBQUHESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2N4O3/c1-2-33-18-9-10-20-19(12-18)21(23(27)31(20)14-15-5-7-17(26)8-6-15)22(32)25-29-24(30-34-25)16-4-3-11-28-13-16/h3-13H,2,14H2,1H3.
What are the key properties of [2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanone?
[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanone has a molecular weight of 493.35 g/mol, XLogP of 6.07, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanone is sourced from PubChem (CID 67244288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).