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

C26H18FN5O4 — CID 121272673

IUPAC2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-pyridinyl]methyl]acetamide
SMILESO=C(Cn1c(-c2ncco2)cc2cc(F)ccc21)NCc1ccc(-c2ccc3[nH]c(=O)oc3c2)cn1
InChIInChI=1S/C26H18FN5O4/c27-18-3-6-21-17(9-18)10-22(25-28-7-8-35-25)32(21)14-24(33)30-13-19-4-1-16(12-29-19)15-2-5-20-23(11-15)36-26(34)31-20/h1-12H,13-14H2,(H,30,33)(H,31,34)
InChIKeyGUQODKYJDULJFH-UHFFFAOYSA-N
MW483.46 g/mol
LogP4.25
Rot. Bonds6

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

2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-pyridinyl]methyl]acetamide (PubChem CID 121272673) has the molecular formula C26H18FN5O4 and a molecular weight of 483.46 g/mol. Its IUPAC name is 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-pyridinyl]methyl]acetamide
PubChem CID121272673
Molecular FormulaC26H18FN5O4
Molecular Weight483.46 g/mol
Exact Mass483.13
IUPAC Name2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-pyridinyl]methyl]acetamide
SMILESO=C(Cn1c(-c2ncco2)cc2cc(F)ccc21)NCc1ccc(-c2ccc3[nH]c(=O)oc3c2)cn1
InChIInChI=1S/C26H18FN5O4/c27-18-3-6-21-17(9-18)10-22(25-28-7-8-35-25)32(21)14-24(33)30-13-19-4-1-16(12-29-19)15-2-5-20-23(11-15)36-26(34)31-20/h1-12H,13-14H2,(H,30,33)(H,31,34)
InChIKeyGUQODKYJDULJFH-UHFFFAOYSA-N
XLogP4.25
TPSA118.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.46
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-pyridinyl]methyl]acetamide?
The IUPAC name of 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-pyridinyl]methyl]acetamide (CID 121272673) is 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-pyridinyl]methyl]acetamide is O=C(Cn1c(-c2ncco2)cc2cc(F)ccc21)NCc1ccc(-c2ccc3[nH]c(=O)oc3c2)cn1.
What is the InChIKey of 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-pyridinyl]methyl]acetamide?
The InChIKey is GUQODKYJDULJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FN5O4/c27-18-3-6-21-17(9-18)10-22(25-28-7-8-35-25)32(21)14-24(33)30-13-19-4-1-16(12-29-19)15-2-5-20-23(11-15)36-26(34)31-20/h1-12H,13-14H2,(H,30,33)(H,31,34).
What are the key properties of 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-pyridinyl]methyl]acetamide?
2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-pyridinyl]methyl]acetamide has a molecular weight of 483.46 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 121272673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).