3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-(pyridin-2-ylmethyl)-1H-indole-6-carboxamide

C26H19FN4O3 — CID 58854706

IUPAC3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-(pyridin-2-ylmethyl)-1H-indole-6-carboxamide
SMILESCc1onc(-c2cccc(F)c2)c1C(=O)c1c[nH]c2cc(C(=O)NCc3ccccn3)ccc12
InChIInChI=1S/C26H19FN4O3/c1-15-23(24(31-34-15)16-5-4-6-18(27)11-16)25(32)21-14-29-22-12-17(8-9-20(21)22)26(33)30-13-19-7-2-3-10-28-19/h2-12,14,29H,13H2,1H3,(H,30,33)
InChIKeyIAYRBTBRHRECJO-UHFFFAOYSA-N
MW454.46 g/mol
LogP4.83
Rot. Bonds6

About 3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-(pyridin-2-ylmethyl)-1H-indole-6-carboxamide

3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-(pyridin-2-ylmethyl)-1H-indole-6-carboxamide (PubChem CID 58854706) has the molecular formula C26H19FN4O3 and a molecular weight of 454.46 g/mol. Its IUPAC name is 3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-(pyridin-2-ylmethyl)-1H-indole-6-carboxamide.

Molecular Properties

Compound Name3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-(pyridin-2-ylmethyl)-1H-indole-6-carboxamide
PubChem CID58854706
Molecular FormulaC26H19FN4O3
Molecular Weight454.46 g/mol
Exact Mass454.14
IUPAC Name3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-(pyridin-2-ylmethyl)-1H-indole-6-carboxamide
SMILESCc1onc(-c2cccc(F)c2)c1C(=O)c1c[nH]c2cc(C(=O)NCc3ccccn3)ccc12
InChIInChI=1S/C26H19FN4O3/c1-15-23(24(31-34-15)16-5-4-6-18(27)11-16)25(32)21-14-29-22-12-17(8-9-20(21)22)26(33)30-13-19-7-2-3-10-28-19/h2-12,14,29H,13H2,1H3,(H,30,33)
InChIKeyIAYRBTBRHRECJO-UHFFFAOYSA-N
XLogP4.83
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.46
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1H-indole-6-carboxamide
CID 143437188
3-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-N-[2-(oxan-4-yl)ethyl]-1H-indole-6-carboxamide
CID 142694609
methyl 3-[3-(3-fluorophenyl)-5-propan-2-yl-1,2-oxazole-4-carbonyl]-1H-indole-6-carboxylate
CID 69111314
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[5-[1-(pyridin-2-ylmethylamino)ethenyl]-1H-pyrrol-3-yl]methanone
CID 143434094
3-(3,5-difluorophenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 170360781
3-(3-fluorophenyl)-5-methyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 50805643
5-(3-fluorophenyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 46104880
3-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 110724423
5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 2971561
1-N-[(4-fluorophenyl)methyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054659
3-(3-fluorophenyl)-5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 176858449
2-(4-fluorophenyl)-N-methyl-5-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide
CID 59275277

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-(pyridin-2-ylmethyl)-1H-indole-6-carboxamide?
The IUPAC name of 3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-(pyridin-2-ylmethyl)-1H-indole-6-carboxamide (CID 58854706) is 3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-(pyridin-2-ylmethyl)-1H-indole-6-carboxamide.
What is the SMILES notation for 3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-(pyridin-2-ylmethyl)-1H-indole-6-carboxamide?
The canonical SMILES for 3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-(pyridin-2-ylmethyl)-1H-indole-6-carboxamide is Cc1onc(-c2cccc(F)c2)c1C(=O)c1c[nH]c2cc(C(=O)NCc3ccccn3)ccc12.
What is the InChIKey of 3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-(pyridin-2-ylmethyl)-1H-indole-6-carboxamide?
The InChIKey is IAYRBTBRHRECJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN4O3/c1-15-23(24(31-34-15)16-5-4-6-18(27)11-16)25(32)21-14-29-22-12-17(8-9-20(21)22)26(33)30-13-19-7-2-3-10-28-19/h2-12,14,29H,13H2,1H3,(H,30,33).
What are the key properties of 3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-(pyridin-2-ylmethyl)-1H-indole-6-carboxamide?
3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-(pyridin-2-ylmethyl)-1H-indole-6-carboxamide has a molecular weight of 454.46 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-(pyridin-2-ylmethyl)-1H-indole-6-carboxamide is sourced from PubChem (CID 58854706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).