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

C21H16F3N3O2 — CID 166585819

IUPAC3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1,3-oxazol-2-ylmethyl)propanamide
SMILESO=C(CCc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12)NCc1ncco1
InChIInChI=1S/C21H16F3N3O2/c22-13-3-1-12(2-4-13)20-15(16-9-14(23)10-17(24)21(16)27-20)5-6-18(28)26-11-19-25-7-8-29-19/h1-4,7-10,27H,5-6,11H2,(H,26,28)
InChIKeyWEMDHOBWOPQCEV-UHFFFAOYSA-N
MW399.37 g/mol
LogP4.49
Rot. Bonds6

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

3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1,3-oxazol-2-ylmethyl)propanamide (PubChem CID 166585819) has the molecular formula C21H16F3N3O2 and a molecular weight of 399.37 g/mol. Its IUPAC name is 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1,3-oxazol-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1,3-oxazol-2-ylmethyl)propanamide
PubChem CID166585819
Molecular FormulaC21H16F3N3O2
Molecular Weight399.37 g/mol
Exact Mass399.12
IUPAC Name3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1,3-oxazol-2-ylmethyl)propanamide
SMILESO=C(CCc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12)NCc1ncco1
InChIInChI=1S/C21H16F3N3O2/c22-13-3-1-12(2-4-13)20-15(16-9-14(23)10-17(24)21(16)27-20)5-6-18(28)26-11-19-25-7-8-29-19/h1-4,7-10,27H,5-6,11H2,(H,26,28)
InChIKeyWEMDHOBWOPQCEV-UHFFFAOYSA-N
XLogP4.49
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.37
LogP ≤ 54.49
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]-N-(1,3-oxazol-2-ylmethyl)propanamide?
The IUPAC name of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1,3-oxazol-2-ylmethyl)propanamide (CID 166585819) is 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1,3-oxazol-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1,3-oxazol-2-ylmethyl)propanamide?
The canonical SMILES for 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1,3-oxazol-2-ylmethyl)propanamide is O=C(CCc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12)NCc1ncco1.
What is the InChIKey of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1,3-oxazol-2-ylmethyl)propanamide?
The InChIKey is WEMDHOBWOPQCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O2/c22-13-3-1-12(2-4-13)20-15(16-9-14(23)10-17(24)21(16)27-20)5-6-18(28)26-11-19-25-7-8-29-19/h1-4,7-10,27H,5-6,11H2,(H,26,28).
What are the key properties of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1,3-oxazol-2-ylmethyl)propanamide?
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1,3-oxazol-2-ylmethyl)propanamide has a molecular weight of 399.37 g/mol, XLogP of 4.49, 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]-N-(1,3-oxazol-2-ylmethyl)propanamide is sourced from PubChem (CID 166585819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).