2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid

C40H34F2N10O7 — CID 159987497

IUPAC2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid
SMILESCc1nc(-c2cncc(C(=O)NCCc3coc(-c4ccccc4F)n3)c2)no1.Cc1nc(-c2cncc(C(=O)O)c2)no1.NCCc1coc(-c2ccccc2F)n1
InChIInChI=1S/C20H16FN5O3.C11H11FN2O.C9H7N3O3/c1-12-24-18(26-29-12)13-8-14(10-22-9-13)19(27)23-7-6-15-11-28-20(25-15)16-4-2-3-5-17(16)21;12-10-4-2-1-3-9(10)11-14-8(5-6-13)7-15-11;1-5-11-8(12-15-5)6-2-7(9(13)14)4-10-3-6/h2-5,8-11H,6-7H2,1H3,(H,23,27);1-4,7H,5-6,13H2;2-4H,1H3,(H,13,14)
InChIKeyOGNGLMHWVURZJZ-UHFFFAOYSA-N
MW804.77 g/mol
LogP6.33
Rot. Bonds11

About 2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid

2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid (PubChem CID 159987497) has the molecular formula C40H34F2N10O7 and a molecular weight of 804.77 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid
PubChem CID159987497
Molecular FormulaC40H34F2N10O7
Molecular Weight804.77 g/mol
Exact Mass804.26
IUPAC Name2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid
SMILESCc1nc(-c2cncc(C(=O)NCCc3coc(-c4ccccc4F)n3)c2)no1.Cc1nc(-c2cncc(C(=O)O)c2)no1.NCCc1coc(-c2ccccc2F)n1
InChIInChI=1S/C20H16FN5O3.C11H11FN2O.C9H7N3O3/c1-12-24-18(26-29-12)13-8-14(10-22-9-13)19(27)23-7-6-15-11-28-20(25-15)16-4-2-3-5-17(16)21;12-10-4-2-1-3-9(10)11-14-8(5-6-13)7-15-11;1-5-11-8(12-15-5)6-2-7(9(13)14)4-10-3-6/h2-5,8-11H,6-7H2,1H3,(H,23,27);1-4,7H,5-6,13H2;2-4H,1H3,(H,13,14)
InChIKeyOGNGLMHWVURZJZ-UHFFFAOYSA-N
XLogP6.33
TPSA248.10 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500804.77
LogP ≤ 56.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid (CID 159987497) is 2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid is Cc1nc(-c2cncc(C(=O)NCCc3coc(-c4ccccc4F)n3)c2)no1.Cc1nc(-c2cncc(C(=O)O)c2)no1.NCCc1coc(-c2ccccc2F)n1.
What is the InChIKey of 2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid?
The InChIKey is OGNGLMHWVURZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O3.C11H11FN2O.C9H7N3O3/c1-12-24-18(26-29-12)13-8-14(10-22-9-13)19(27)23-7-6-15-11-28-20(25-15)16-4-2-3-5-17(16)21;12-10-4-2-1-3-9(10)11-14-8(5-6-13)7-15-11;1-5-11-8(12-15-5)6-2-7(9(13)14)4-10-3-6/h2-5,8-11H,6-7H2,1H3,(H,23,27);1-4,7H,5-6,13H2;2-4H,1H3,(H,13,14).
What are the key properties of 2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid?
2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid has a molecular weight of 804.77 g/mol, XLogP of 6.33, 11 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 159987497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).