3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-phenyl-1H-indol-3-yl)-1,2-oxazole-4-carboxamide

C25H17ClFN3O2 — CID 73353411

IUPAC3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-phenyl-1H-indol-3-yl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C25H17ClFN3O2/c1-14-20(24(30-32-14)21-17(26)11-7-12-18(21)27)25(31)29-23-16-10-5-6-13-19(16)28-22(23)15-8-3-2-4-9-15/h2-13,28H,1H3,(H,29,31)
InChIKeyCTGLMMLCMDZUSW-UHFFFAOYSA-N
MW445.88 g/mol
LogP6.84
Rot. Bonds4

About 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-phenyl-1H-indol-3-yl)-1,2-oxazole-4-carboxamide

3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-phenyl-1H-indol-3-yl)-1,2-oxazole-4-carboxamide (PubChem CID 73353411) has the molecular formula C25H17ClFN3O2 and a molecular weight of 445.88 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-phenyl-1H-indol-3-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-phenyl-1H-indol-3-yl)-1,2-oxazole-4-carboxamide
PubChem CID73353411
Molecular FormulaC25H17ClFN3O2
Molecular Weight445.88 g/mol
Exact Mass445.10
IUPAC Name3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-phenyl-1H-indol-3-yl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C25H17ClFN3O2/c1-14-20(24(30-32-14)21-17(26)11-7-12-18(21)27)25(31)29-23-16-10-5-6-13-19(16)28-22(23)15-8-3-2-4-9-15/h2-13,28H,1H3,(H,29,31)
InChIKeyCTGLMMLCMDZUSW-UHFFFAOYSA-N
XLogP6.84
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.88
LogP ≤ 56.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-phenyl-1H-indol-3-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-phenyl-1H-indol-3-yl)-1,2-oxazole-4-carboxamide (CID 73353411) is 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-phenyl-1H-indol-3-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-phenyl-1H-indol-3-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-phenyl-1H-indol-3-yl)-1,2-oxazole-4-carboxamide is Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-phenyl-1H-indol-3-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is CTGLMMLCMDZUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClFN3O2/c1-14-20(24(30-32-14)21-17(26)11-7-12-18(21)27)25(31)29-23-16-10-5-6-13-19(16)28-22(23)15-8-3-2-4-9-15/h2-13,28H,1H3,(H,29,31).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-phenyl-1H-indol-3-yl)-1,2-oxazole-4-carboxamide?
3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-phenyl-1H-indol-3-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 445.88 g/mol, XLogP of 6.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-phenyl-1H-indol-3-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 73353411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).