2-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propanamide

C23H22FN3O3 — CID 90770139

IUPAC2-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propanamide
SMILESCOc1ccc(-c2[nH]c3ccc(F)cc3c2C(C)C(=O)NCc2cc(C)no2)cc1
InChIInChI=1S/C23H22FN3O3/c1-13-10-18(30-27-13)12-25-23(28)14(2)21-19-11-16(24)6-9-20(19)26-22(21)15-4-7-17(29-3)8-5-15/h4-11,14,26H,12H2,1-3H3,(H,25,28)
InChIKeyRSLZOXLUWBAVCA-UHFFFAOYSA-N
MW407.45 g/mol
LogP4.70
Rot. Bonds6

About 2-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propanamide

2-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propanamide (PubChem CID 90770139) has the molecular formula C23H22FN3O3 and a molecular weight of 407.45 g/mol. Its IUPAC name is 2-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name2-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propanamide
PubChem CID90770139
Molecular FormulaC23H22FN3O3
Molecular Weight407.45 g/mol
Exact Mass407.16
IUPAC Name2-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propanamide
SMILESCOc1ccc(-c2[nH]c3ccc(F)cc3c2C(C)C(=O)NCc2cc(C)no2)cc1
InChIInChI=1S/C23H22FN3O3/c1-13-10-18(30-27-13)12-25-23(28)14(2)21-19-11-16(24)6-9-20(19)26-22(21)15-4-7-17(29-3)8-5-15/h4-11,14,26H,12H2,1-3H3,(H,25,28)
InChIKeyRSLZOXLUWBAVCA-UHFFFAOYSA-N
XLogP4.70
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propanamide?
The IUPAC name of 2-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propanamide (CID 90770139) is 2-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propanamide.
What is the SMILES notation for 2-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propanamide?
The canonical SMILES for 2-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propanamide is COc1ccc(-c2[nH]c3ccc(F)cc3c2C(C)C(=O)NCc2cc(C)no2)cc1.
What is the InChIKey of 2-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propanamide?
The InChIKey is RSLZOXLUWBAVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O3/c1-13-10-18(30-27-13)12-25-23(28)14(2)21-19-11-16(24)6-9-20(19)26-22(21)15-4-7-17(29-3)8-5-15/h4-11,14,26H,12H2,1-3H3,(H,25,28).
What are the key properties of 2-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propanamide?
2-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propanamide has a molecular weight of 407.45 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propanamide is sourced from PubChem (CID 90770139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).