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

C24H14Cl3N3O2 — CID 67243796

IUPAC[2-chloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone
SMILESO=C(c1ncc(-c2ccncc2)o1)c1c(Cl)n(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C24H14Cl3N3O2/c25-16-6-5-15(18(26)11-16)13-30-19-4-2-1-3-17(19)21(23(30)27)22(31)24-29-12-20(32-24)14-7-9-28-10-8-14/h1-12H,13H2
InChIKeyDBVBOEMNMDXWOU-UHFFFAOYSA-N
MW482.75 g/mol
LogP6.93
Rot. Bonds5

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

[2-chloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone (PubChem CID 67243796) has the molecular formula C24H14Cl3N3O2 and a molecular weight of 482.75 g/mol. Its IUPAC name is [2-chloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone.

Molecular Properties

Compound Name[2-chloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone
PubChem CID67243796
Molecular FormulaC24H14Cl3N3O2
Molecular Weight482.75 g/mol
Exact Mass481.02
IUPAC Name[2-chloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone
SMILESO=C(c1ncc(-c2ccncc2)o1)c1c(Cl)n(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C24H14Cl3N3O2/c25-16-6-5-15(18(26)11-16)13-30-19-4-2-1-3-17(19)21(23(30)27)22(31)24-29-12-20(32-24)14-7-9-28-10-8-14/h1-12H,13H2
InChIKeyDBVBOEMNMDXWOU-UHFFFAOYSA-N
XLogP6.93
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.75
LogP ≤ 56.93
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]indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone?
The IUPAC name of [2-chloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone (CID 67243796) is [2-chloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone.
What is the SMILES notation for [2-chloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone?
The canonical SMILES for [2-chloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone is O=C(c1ncc(-c2ccncc2)o1)c1c(Cl)n(Cc2ccc(Cl)cc2Cl)c2ccccc12.
What is the InChIKey of [2-chloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone?
The InChIKey is DBVBOEMNMDXWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl3N3O2/c25-16-6-5-15(18(26)11-16)13-30-19-4-2-1-3-17(19)21(23(30)27)22(31)24-29-12-20(32-24)14-7-9-28-10-8-14/h1-12H,13H2.
What are the key properties of [2-chloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone?
[2-chloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone has a molecular weight of 482.75 g/mol, XLogP of 6.93, 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]indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone is sourced from PubChem (CID 67243796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).