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

C25H16Cl2N2O2 — CID 67242507

IUPAC[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone
SMILESO=C(c1ncc(-c2ccccc2)o1)c1c(Cl)n(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C25H16Cl2N2O2/c26-18-12-10-16(11-13-18)15-29-20-9-5-4-8-19(20)22(24(29)27)23(30)25-28-14-21(31-25)17-6-2-1-3-7-17/h1-14H,15H2
InChIKeyZLYVUCFMRNPHKW-UHFFFAOYSA-N
MW447.32 g/mol
LogP6.88
Rot. Bonds5

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

[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone (PubChem CID 67242507) has the molecular formula C25H16Cl2N2O2 and a molecular weight of 447.32 g/mol. Its IUPAC name is [2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone.

Molecular Properties

Compound Name[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone
PubChem CID67242507
Molecular FormulaC25H16Cl2N2O2
Molecular Weight447.32 g/mol
Exact Mass446.06
IUPAC Name[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone
SMILESO=C(c1ncc(-c2ccccc2)o1)c1c(Cl)n(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C25H16Cl2N2O2/c26-18-12-10-16(11-13-18)15-29-20-9-5-4-8-19(20)22(24(29)27)23(30)25-28-14-21(31-25)17-6-2-1-3-7-17/h1-14H,15H2
InChIKeyZLYVUCFMRNPHKW-UHFFFAOYSA-N
XLogP6.88
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.32
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[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-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone
CID 67244862
[2,5-dichloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone
CID 67247506
[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(2-pyridin-2-yl-1,3-oxazol-5-yl)methanone
CID 67245253
[1-[(4-chlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone
CID 67243006
[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone
CID 67245188
[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone
CID 67243175
[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone
CID 67244333
[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone
CID 67244337
[1-chloro-2-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone
CID 140541150
[2-chloro-1-[(4-chlorophenyl)methyl]-5-methylindol-3-yl]-(2-pyridin-4-yl-1,3-oxazol-5-yl)methanone
CID 67243557
[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-ethoxyindol-3-yl]-(5-pyridin-3-yl-1,3-oxazol-2-yl)methanone
CID 67243935

Frequently Asked Questions

What is the IUPAC name of [2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone?
The IUPAC name of [2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone (CID 67242507) is [2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone.
What is the SMILES notation for [2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone?
The canonical SMILES for [2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone is O=C(c1ncc(-c2ccccc2)o1)c1c(Cl)n(Cc2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of [2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone?
The InChIKey is ZLYVUCFMRNPHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Cl2N2O2/c26-18-12-10-16(11-13-18)15-29-20-9-5-4-8-19(20)22(24(29)27)23(30)25-28-14-21(31-25)17-6-2-1-3-7-17/h1-14H,15H2.
What are the key properties of [2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone?
[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone has a molecular weight of 447.32 g/mol, XLogP of 6.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone is sourced from PubChem (CID 67242507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).