[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(3-phenyl-1,2,4-oxadiazol-5-yl)methanone

C25H18ClN3O3 — CID 67243198

IUPAC[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(3-phenyl-1,2,4-oxadiazol-5-yl)methanone
SMILESCOc1ccc2c(c1)c(C(=O)c1nc(-c3ccccc3)no1)cn2Cc1ccc(Cl)cc1
InChIInChI=1S/C25H18ClN3O3/c1-31-19-11-12-22-20(13-19)21(15-29(22)14-16-7-9-18(26)10-8-16)23(30)25-27-24(28-32-25)17-5-3-2-4-6-17/h2-13,15H,14H2,1H3
InChIKeyHUHVQTVVFBZZHB-UHFFFAOYSA-N
MW443.89 g/mol
LogP5.63
Rot. Bonds6

About [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(3-phenyl-1,2,4-oxadiazol-5-yl)methanone

[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(3-phenyl-1,2,4-oxadiazol-5-yl)methanone (PubChem CID 67243198) has the molecular formula C25H18ClN3O3 and a molecular weight of 443.89 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(3-phenyl-1,2,4-oxadiazol-5-yl)methanone.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(3-phenyl-1,2,4-oxadiazol-5-yl)methanone
PubChem CID67243198
Molecular FormulaC25H18ClN3O3
Molecular Weight443.89 g/mol
Exact Mass443.10
IUPAC Name[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(3-phenyl-1,2,4-oxadiazol-5-yl)methanone
SMILESCOc1ccc2c(c1)c(C(=O)c1nc(-c3ccccc3)no1)cn2Cc1ccc(Cl)cc1
InChIInChI=1S/C25H18ClN3O3/c1-31-19-11-12-22-20(13-19)21(15-29(22)14-16-7-9-18(26)10-8-16)23(30)25-27-24(28-32-25)17-5-3-2-4-6-17/h2-13,15H,14H2,1H3
InChIKeyHUHVQTVVFBZZHB-UHFFFAOYSA-N
XLogP5.63
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.89
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-phenylfuran-2-yl)methanone
CID 91115948
[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1,2-thiazol-3-yl)methanone
CID 67244660
[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridin-2-ylpyrazol-3-yl)methanone
CID 67244328
1,3-benzoxazol-2-yl-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]methanone;1,3-benzoxazol-2-yl-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]methanone
CID 69022169
[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridazin-3-ylpyrazol-4-yl)methanone
CID 67244342
[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanone
CID 67244712
6-methoxy-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]quinolin-4-one
CID 20864686
[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridazin-4-ylpyrazol-4-yl)methanone
CID 67244215
[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridazin-4-yltriazol-4-yl)methanone
CID 67242796
[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanone
CID 67244288
[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanone
CID 24969528
2-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
CID 25144411

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(3-phenyl-1,2,4-oxadiazol-5-yl)methanone?
The IUPAC name of [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(3-phenyl-1,2,4-oxadiazol-5-yl)methanone (CID 67243198) is [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(3-phenyl-1,2,4-oxadiazol-5-yl)methanone.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(3-phenyl-1,2,4-oxadiazol-5-yl)methanone?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(3-phenyl-1,2,4-oxadiazol-5-yl)methanone is COc1ccc2c(c1)c(C(=O)c1nc(-c3ccccc3)no1)cn2Cc1ccc(Cl)cc1.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(3-phenyl-1,2,4-oxadiazol-5-yl)methanone?
The InChIKey is HUHVQTVVFBZZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClN3O3/c1-31-19-11-12-22-20(13-19)21(15-29(22)14-16-7-9-18(26)10-8-16)23(30)25-27-24(28-32-25)17-5-3-2-4-6-17/h2-13,15H,14H2,1H3.
What are the key properties of [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(3-phenyl-1,2,4-oxadiazol-5-yl)methanone?
[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(3-phenyl-1,2,4-oxadiazol-5-yl)methanone has a molecular weight of 443.89 g/mol, XLogP of 5.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(3-phenyl-1,2,4-oxadiazol-5-yl)methanone is sourced from PubChem (CID 67243198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).