[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone

C26H17Cl3N2O3 — CID 67245188

IUPAC[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone
SMILESCOc1ccc2c(c1)c(C(=O)c1ncc(-c3ccccc3)o1)c(Cl)n2Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C26H17Cl3N2O3/c1-33-18-9-10-21-19(12-18)23(25(29)31(21)14-16-7-8-17(27)11-20(16)28)24(32)26-30-13-22(34-26)15-5-3-2-4-6-15/h2-13H,14H2,1H3
InChIKeyPGZYDOYCVUTVOQ-UHFFFAOYSA-N
MW511.79 g/mol
LogP7.54
Rot. Bonds6

About [2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone

[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone (PubChem CID 67245188) has the molecular formula C26H17Cl3N2O3 and a molecular weight of 511.79 g/mol. Its IUPAC name is [2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone.

Molecular Properties

Compound Name[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone
PubChem CID67245188
Molecular FormulaC26H17Cl3N2O3
Molecular Weight511.79 g/mol
Exact Mass510.03
IUPAC Name[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone
SMILESCOc1ccc2c(c1)c(C(=O)c1ncc(-c3ccccc3)o1)c(Cl)n2Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C26H17Cl3N2O3/c1-33-18-9-10-21-19(12-18)23(25(29)31(21)14-16-7-8-17(27)11-20(16)28)24(32)26-30-13-22(34-26)15-5-3-2-4-6-15/h2-13H,14H2,1H3
InChIKeyPGZYDOYCVUTVOQ-UHFFFAOYSA-N
XLogP7.54
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.79
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone
CID 67244459
[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-methoxyindol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone
CID 67244862
[2-chloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone
CID 67243796
[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-ethoxyindol-3-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone
CID 67242735
[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone
CID 67244333
[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone
CID 87323012
[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone
CID 67242507
[1-[(4-chlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone
CID 67243006
[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 67244053
[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone
CID 67243175
2-[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 68908072

Frequently Asked Questions

What is the IUPAC name of [2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone?
The IUPAC name of [2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone (CID 67245188) is [2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone.
What is the SMILES notation for [2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone?
The canonical SMILES for [2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone is COc1ccc2c(c1)c(C(=O)c1ncc(-c3ccccc3)o1)c(Cl)n2Cc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone?
The InChIKey is PGZYDOYCVUTVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17Cl3N2O3/c1-33-18-9-10-21-19(12-18)23(25(29)31(21)14-16-7-8-17(27)11-20(16)28)24(32)26-30-13-22(34-26)15-5-3-2-4-6-15/h2-13H,14H2,1H3.
What are the key properties of [2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone?
[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone has a molecular weight of 511.79 g/mol, XLogP of 7.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone is sourced from PubChem (CID 67245188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).