[2,5-dichloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone

C25H15Cl3N2O2 — CID 67247506

IUPAC[2,5-dichloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone
SMILESO=C(c1cnc(-c2ccccc2)o1)c1c(Cl)n(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C25H15Cl3N2O2/c26-17-8-6-15(7-9-17)14-30-20-11-10-18(27)12-19(20)22(24(30)28)23(31)21-13-29-25(32-21)16-4-2-1-3-5-16/h1-13H,14H2
InChIKeyBQVKSNGFHRTMDN-UHFFFAOYSA-N
MW481.77 g/mol
LogP7.54
Rot. Bonds5

About [2,5-dichloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone

[2,5-dichloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone (PubChem CID 67247506) has the molecular formula C25H15Cl3N2O2 and a molecular weight of 481.77 g/mol. Its IUPAC name is [2,5-dichloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[2,5-dichloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone
PubChem CID67247506
Molecular FormulaC25H15Cl3N2O2
Molecular Weight481.77 g/mol
Exact Mass480.02
IUPAC Name[2,5-dichloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone
SMILESO=C(c1cnc(-c2ccccc2)o1)c1c(Cl)n(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C25H15Cl3N2O2/c26-17-8-6-15(7-9-17)14-30-20-11-10-18(27)12-19(20)22(24(30)28)23(31)21-13-29-25(32-21)16-4-2-1-3-5-16/h1-13H,14H2
InChIKeyBQVKSNGFHRTMDN-UHFFFAOYSA-N
XLogP7.54
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.77
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2,5-dichloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [2,5-dichloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone (CID 67247506) is [2,5-dichloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [2,5-dichloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [2,5-dichloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone is O=C(c1cnc(-c2ccccc2)o1)c1c(Cl)n(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12.
What is the InChIKey of [2,5-dichloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone?
The InChIKey is BQVKSNGFHRTMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15Cl3N2O2/c26-17-8-6-15(7-9-17)14-30-20-11-10-18(27)12-19(20)22(24(30)28)23(31)21-13-29-25(32-21)16-4-2-1-3-5-16/h1-13H,14H2.
What are the key properties of [2,5-dichloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone?
[2,5-dichloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone has a molecular weight of 481.77 g/mol, XLogP of 7.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-dichloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 67247506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).