3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)cyclobutane-1-carboxamide

C23H18F3N3O2 — CID 166008551

IUPAC3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)cyclobutane-1-carboxamide
SMILESCc1cc(NC(=O)C2CC(c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)no1
InChIInChI=1S/C23H18F3N3O2/c1-11-6-19(29-31-11)27-23(30)14-7-13(8-14)20-17-9-16(25)10-18(26)22(17)28-21(20)12-2-4-15(24)5-3-12/h2-6,9-10,13-14,28H,7-8H2,1H3,(H,27,29,30)
InChIKeyFWKUDSSRCGPUOL-UHFFFAOYSA-N
MW425.41 g/mol
LogP5.68
Rot. Bonds4

About 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)cyclobutane-1-carboxamide

3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)cyclobutane-1-carboxamide (PubChem CID 166008551) has the molecular formula C23H18F3N3O2 and a molecular weight of 425.41 g/mol. Its IUPAC name is 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)cyclobutane-1-carboxamide
PubChem CID166008551
Molecular FormulaC23H18F3N3O2
Molecular Weight425.41 g/mol
Exact Mass425.14
IUPAC Name3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)cyclobutane-1-carboxamide
SMILESCc1cc(NC(=O)C2CC(c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)no1
InChIInChI=1S/C23H18F3N3O2/c1-11-6-19(29-31-11)27-23(30)14-7-13(8-14)20-17-9-16(25)10-18(26)22(17)28-21(20)12-2-4-15(24)5-3-12/h2-6,9-10,13-14,28H,7-8H2,1H3,(H,27,29,30)
InChIKeyFWKUDSSRCGPUOL-UHFFFAOYSA-N
XLogP5.68
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.41
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-methyl-3-isoxazolyl)-2-(4-methylphenyl)-4-quinolinecarboxamide
CID 897342
2-(2-methyl-1H-indol-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide
CID 4916611
N-(5-methyl-3-isoxazolyl)-2-(2-methylphenyl)-4-quinolinecarboxamide
CID 3319654
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclobutane-1-carboxamide
CID 156816423
N-(5-methyl-1,2-oxazol-3-yl)-2-phenylquinoline-4-carboxamide
CID 824117
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 17556644
N1-(2-(1H-indol-3-yl)ethyl)-N2-(5-methylisoxazol-3-yl)oxalamide
CID 17586326
3-(2-(4-fluorophenyl)-1H-indol-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 16369166
N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetamide
CID 2153553
1-(1H-indole-3-carbonyl)-N-(5-methylisoxazol-3-yl)piperidine-4-carboxamide
CID 49722766
2-(5-fluoro-1H-indol-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide
CID 16762097
2-(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-N-(5-methylisoxazol-3-yl)-2-oxoacetamide
CID 56749030

Frequently Asked Questions

What is the IUPAC name of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)cyclobutane-1-carboxamide?
The IUPAC name of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)cyclobutane-1-carboxamide (CID 166008551) is 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)cyclobutane-1-carboxamide is Cc1cc(NC(=O)C2CC(c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)no1.
What is the InChIKey of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)cyclobutane-1-carboxamide?
The InChIKey is FWKUDSSRCGPUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O2/c1-11-6-19(29-31-11)27-23(30)14-7-13(8-14)20-17-9-16(25)10-18(26)22(17)28-21(20)12-2-4-15(24)5-3-12/h2-6,9-10,13-14,28H,7-8H2,1H3,(H,27,29,30).
What are the key properties of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)cyclobutane-1-carboxamide?
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)cyclobutane-1-carboxamide has a molecular weight of 425.41 g/mol, XLogP of 5.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 166008551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).