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

C25H17Cl2N3O2 — CID 67243557

IUPAC[2-chloro-1-[(4-chlorophenyl)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)cc1
InChIInChI=1S/C25H17Cl2N3O2/c1-15-2-7-20-19(12-15)22(24(27)30(20)14-16-3-5-18(26)6-4-16)23(31)21-13-29-25(32-21)17-8-10-28-11-9-17/h2-13H,14H2,1H3
InChIKeyWFRAXFUSMLZHOS-UHFFFAOYSA-N
MW462.34 g/mol
LogP6.59
Rot. Bonds5

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

[2-chloro-1-[(4-chlorophenyl)methyl]-5-methylindol-3-yl]-(2-pyridin-4-yl-1,3-oxazol-5-yl)methanone (PubChem CID 67243557) has the molecular formula C25H17Cl2N3O2 and a molecular weight of 462.34 g/mol. Its IUPAC name is [2-chloro-1-[(4-chlorophenyl)methyl]-5-methylindol-3-yl]-(2-pyridin-4-yl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[2-chloro-1-[(4-chlorophenyl)methyl]-5-methylindol-3-yl]-(2-pyridin-4-yl-1,3-oxazol-5-yl)methanone
PubChem CID67243557
Molecular FormulaC25H17Cl2N3O2
Molecular Weight462.34 g/mol
Exact Mass461.07
IUPAC Name[2-chloro-1-[(4-chlorophenyl)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)cc1
InChIInChI=1S/C25H17Cl2N3O2/c1-15-2-7-20-19(12-15)22(24(27)30(20)14-16-3-5-18(26)6-4-16)23(31)21-13-29-25(32-21)17-8-10-28-11-9-17/h2-13H,14H2,1H3
InChIKeyWFRAXFUSMLZHOS-UHFFFAOYSA-N
XLogP6.59
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.34
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-1-[(4-chlorophenyl)methyl]-5-methylindol-3-yl]-(2-pyridin-4-yl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [2-chloro-1-[(4-chlorophenyl)methyl]-5-methylindol-3-yl]-(2-pyridin-4-yl-1,3-oxazol-5-yl)methanone (CID 67243557) is [2-chloro-1-[(4-chlorophenyl)methyl]-5-methylindol-3-yl]-(2-pyridin-4-yl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [2-chloro-1-[(4-chlorophenyl)methyl]-5-methylindol-3-yl]-(2-pyridin-4-yl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [2-chloro-1-[(4-chlorophenyl)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)cc1.
What is the InChIKey of [2-chloro-1-[(4-chlorophenyl)methyl]-5-methylindol-3-yl]-(2-pyridin-4-yl-1,3-oxazol-5-yl)methanone?
The InChIKey is WFRAXFUSMLZHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17Cl2N3O2/c1-15-2-7-20-19(12-15)22(24(27)30(20)14-16-3-5-18(26)6-4-16)23(31)21-13-29-25(32-21)17-8-10-28-11-9-17/h2-13H,14H2,1H3.
What are the key properties of [2-chloro-1-[(4-chlorophenyl)methyl]-5-methylindol-3-yl]-(2-pyridin-4-yl-1,3-oxazol-5-yl)methanone?
[2-chloro-1-[(4-chlorophenyl)methyl]-5-methylindol-3-yl]-(2-pyridin-4-yl-1,3-oxazol-5-yl)methanone has a molecular weight of 462.34 g/mol, XLogP of 6.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-1-[(4-chlorophenyl)methyl]-5-methylindol-3-yl]-(2-pyridin-4-yl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 67243557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).