2-[5-(6-fluoro-1H-indol-3-yl)-2-oxo-1,3-benzoxazol-3-yl]acetamide

C17H12FN3O3 — CID 118382706

IUPAC2-[5-(6-fluoro-1H-indol-3-yl)-2-oxo-1,3-benzoxazol-3-yl]acetamide
SMILESNC(=O)Cn1c(=O)oc2ccc(-c3c[nH]c4cc(F)ccc34)cc21
InChIInChI=1S/C17H12FN3O3/c18-10-2-3-11-12(7-20-13(11)6-10)9-1-4-15-14(5-9)21(8-16(19)22)17(23)24-15/h1-7,20H,8H2,(H2,19,22)
InChIKeyDUXJEFVZGAQNNJ-UHFFFAOYSA-N
MW325.30 g/mol
LogP2.37
Rot. Bonds3

About 2-[5-(6-fluoro-1H-indol-3-yl)-2-oxo-1,3-benzoxazol-3-yl]acetamide

2-[5-(6-fluoro-1H-indol-3-yl)-2-oxo-1,3-benzoxazol-3-yl]acetamide (PubChem CID 118382706) has the molecular formula C17H12FN3O3 and a molecular weight of 325.30 g/mol. Its IUPAC name is 2-[5-(6-fluoro-1H-indol-3-yl)-2-oxo-1,3-benzoxazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[5-(6-fluoro-1H-indol-3-yl)-2-oxo-1,3-benzoxazol-3-yl]acetamide
PubChem CID118382706
Molecular FormulaC17H12FN3O3
Molecular Weight325.30 g/mol
Exact Mass325.09
IUPAC Name2-[5-(6-fluoro-1H-indol-3-yl)-2-oxo-1,3-benzoxazol-3-yl]acetamide
SMILESNC(=O)Cn1c(=O)oc2ccc(-c3c[nH]c4cc(F)ccc34)cc21
InChIInChI=1S/C17H12FN3O3/c18-10-2-3-11-12(7-20-13(11)6-10)9-1-4-15-14(5-9)21(8-16(19)22)17(23)24-15/h1-7,20H,8H2,(H2,19,22)
InChIKeyDUXJEFVZGAQNNJ-UHFFFAOYSA-N
XLogP2.37
TPSA94.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.30
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(6-fluoro-1H-indol-3-yl)-2-oxo-1,3-benzoxazol-3-yl]acetamide?
The IUPAC name of 2-[5-(6-fluoro-1H-indol-3-yl)-2-oxo-1,3-benzoxazol-3-yl]acetamide (CID 118382706) is 2-[5-(6-fluoro-1H-indol-3-yl)-2-oxo-1,3-benzoxazol-3-yl]acetamide.
What is the SMILES notation for 2-[5-(6-fluoro-1H-indol-3-yl)-2-oxo-1,3-benzoxazol-3-yl]acetamide?
The canonical SMILES for 2-[5-(6-fluoro-1H-indol-3-yl)-2-oxo-1,3-benzoxazol-3-yl]acetamide is NC(=O)Cn1c(=O)oc2ccc(-c3c[nH]c4cc(F)ccc34)cc21.
What is the InChIKey of 2-[5-(6-fluoro-1H-indol-3-yl)-2-oxo-1,3-benzoxazol-3-yl]acetamide?
The InChIKey is DUXJEFVZGAQNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O3/c18-10-2-3-11-12(7-20-13(11)6-10)9-1-4-15-14(5-9)21(8-16(19)22)17(23)24-15/h1-7,20H,8H2,(H2,19,22).
What are the key properties of 2-[5-(6-fluoro-1H-indol-3-yl)-2-oxo-1,3-benzoxazol-3-yl]acetamide?
2-[5-(6-fluoro-1H-indol-3-yl)-2-oxo-1,3-benzoxazol-3-yl]acetamide has a molecular weight of 325.30 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(6-fluoro-1H-indol-3-yl)-2-oxo-1,3-benzoxazol-3-yl]acetamide is sourced from PubChem (CID 118382706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).