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

C24H20F3N3O2 — CID 156816207

IUPAC3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-(1,3-oxazol-5-ylmethyl)cyclobutane-1-carboxamide
SMILESO=C(NCc1cnco1)C1CC(Cc2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
InChIInChI=1S/C24H20F3N3O2/c25-16-3-1-14(2-4-16)22-19(20-8-17(26)9-21(27)23(20)30-22)7-13-5-15(6-13)24(31)29-11-18-10-28-12-32-18/h1-4,8-10,12-13,15,30H,5-7,11H2,(H,29,31)
InChIKeyNZTIIAMVMRHAHF-UHFFFAOYSA-N
MW439.44 g/mol
LogP5.13
Rot. Bonds6

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

3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-(1,3-oxazol-5-ylmethyl)cyclobutane-1-carboxamide (PubChem CID 156816207) has the molecular formula C24H20F3N3O2 and a molecular weight of 439.44 g/mol. Its IUPAC name is 3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-(1,3-oxazol-5-ylmethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-(1,3-oxazol-5-ylmethyl)cyclobutane-1-carboxamide
PubChem CID156816207
Molecular FormulaC24H20F3N3O2
Molecular Weight439.44 g/mol
Exact Mass439.15
IUPAC Name3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-(1,3-oxazol-5-ylmethyl)cyclobutane-1-carboxamide
SMILESO=C(NCc1cnco1)C1CC(Cc2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
InChIInChI=1S/C24H20F3N3O2/c25-16-3-1-14(2-4-16)22-19(20-8-17(26)9-21(27)23(20)30-22)7-13-5-15(6-13)24(31)29-11-18-10-28-12-32-18/h1-4,8-10,12-13,15,30H,5-7,11H2,(H,29,31)
InChIKeyNZTIIAMVMRHAHF-UHFFFAOYSA-N
XLogP5.13
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.44
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-(1,3-oxazol-5-ylmethyl)cyclobutane-1-carboxamide?
The IUPAC name of 3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-(1,3-oxazol-5-ylmethyl)cyclobutane-1-carboxamide (CID 156816207) is 3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-(1,3-oxazol-5-ylmethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-(1,3-oxazol-5-ylmethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-(1,3-oxazol-5-ylmethyl)cyclobutane-1-carboxamide is O=C(NCc1cnco1)C1CC(Cc2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1.
What is the InChIKey of 3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-(1,3-oxazol-5-ylmethyl)cyclobutane-1-carboxamide?
The InChIKey is NZTIIAMVMRHAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O2/c25-16-3-1-14(2-4-16)22-19(20-8-17(26)9-21(27)23(20)30-22)7-13-5-15(6-13)24(31)29-11-18-10-28-12-32-18/h1-4,8-10,12-13,15,30H,5-7,11H2,(H,29,31).
What are the key properties of 3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-(1,3-oxazol-5-ylmethyl)cyclobutane-1-carboxamide?
3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-(1,3-oxazol-5-ylmethyl)cyclobutane-1-carboxamide has a molecular weight of 439.44 g/mol, XLogP of 5.13, 6 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]methyl]-N-(1,3-oxazol-5-ylmethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 156816207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).