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

C25H16Cl3N3O2 — CID 67247241

IUPAC[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methylindol-3-yl]-(2-pyridin-4-yl-1,3-oxazol-5-yl)methanone
SMILESCc1ccc2c(c1)c(C(=O)c1cnc(-c3ccncc3)o1)c(Cl)n2Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C25H16Cl3N3O2/c1-14-2-5-20-18(10-14)22(24(28)31(20)13-16-3-4-17(26)11-19(16)27)23(32)21-12-30-25(33-21)15-6-8-29-9-7-15/h2-12H,13H2,1H3
InChIKeyWMSYWNNLVCYOJG-UHFFFAOYSA-N
MW496.78 g/mol
LogP7.24
Rot. Bonds5

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

[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methylindol-3-yl]-(2-pyridin-4-yl-1,3-oxazol-5-yl)methanone (PubChem CID 67247241) has the molecular formula C25H16Cl3N3O2 and a molecular weight of 496.78 g/mol. Its IUPAC name is [2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methylindol-3-yl]-(2-pyridin-4-yl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methylindol-3-yl]-(2-pyridin-4-yl-1,3-oxazol-5-yl)methanone
PubChem CID67247241
Molecular FormulaC25H16Cl3N3O2
Molecular Weight496.78 g/mol
Exact Mass495.03
IUPAC Name[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methylindol-3-yl]-(2-pyridin-4-yl-1,3-oxazol-5-yl)methanone
SMILESCc1ccc2c(c1)c(C(=O)c1cnc(-c3ccncc3)o1)c(Cl)n2Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C25H16Cl3N3O2/c1-14-2-5-20-18(10-14)22(24(28)31(20)13-16-3-4-17(26)11-19(16)27)23(32)21-12-30-25(33-21)15-6-8-29-9-7-15/h2-12H,13H2,1H3
InChIKeyWMSYWNNLVCYOJG-UHFFFAOYSA-N
XLogP7.24
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.78
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methylindol-3-yl]-(2-pyridin-4-yl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methylindol-3-yl]-(2-pyridin-4-yl-1,3-oxazol-5-yl)methanone (CID 67247241) is [2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methylindol-3-yl]-(2-pyridin-4-yl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methylindol-3-yl]-(2-pyridin-4-yl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methylindol-3-yl]-(2-pyridin-4-yl-1,3-oxazol-5-yl)methanone is Cc1ccc2c(c1)c(C(=O)c1cnc(-c3ccncc3)o1)c(Cl)n2Cc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methylindol-3-yl]-(2-pyridin-4-yl-1,3-oxazol-5-yl)methanone?
The InChIKey is WMSYWNNLVCYOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Cl3N3O2/c1-14-2-5-20-18(10-14)22(24(28)31(20)13-16-3-4-17(26)11-19(16)27)23(32)21-12-30-25(33-21)15-6-8-29-9-7-15/h2-12H,13H2,1H3.
What are the key properties of [2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methylindol-3-yl]-(2-pyridin-4-yl-1,3-oxazol-5-yl)methanone?
[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methylindol-3-yl]-(2-pyridin-4-yl-1,3-oxazol-5-yl)methanone has a molecular weight of 496.78 g/mol, XLogP of 7.24, 5 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-methylindol-3-yl]-(2-pyridin-4-yl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 67247241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).