3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide

C23H15FN4O3 — CID 97446332

IUPAC3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc2onc(-c3coc(-c4ccc(F)cc4)n3)c2c1
InChIInChI=1S/C23H15FN4O3/c24-17-6-3-15(4-7-17)23-27-19(13-30-23)21-18-10-16(5-8-20(18)31-28-21)22(29)26-12-14-2-1-9-25-11-14/h1-11,13H,12H2,(H,26,29)
InChIKeyKWZYTDQTRRCJFD-UHFFFAOYSA-N
MW414.40 g/mol
LogP4.61
Rot. Bonds5

About 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide

3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide (PubChem CID 97446332) has the molecular formula C23H15FN4O3 and a molecular weight of 414.40 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide
PubChem CID97446332
Molecular FormulaC23H15FN4O3
Molecular Weight414.40 g/mol
Exact Mass414.11
IUPAC Name3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc2onc(-c3coc(-c4ccc(F)cc4)n3)c2c1
InChIInChI=1S/C23H15FN4O3/c24-17-6-3-15(4-7-17)23-27-19(13-30-23)21-18-10-16(5-8-20(18)31-28-21)22(29)26-12-14-2-1-9-25-11-14/h1-11,13H,12H2,(H,26,29)
InChIKeyKWZYTDQTRRCJFD-UHFFFAOYSA-N
XLogP4.61
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.40
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Piperazine, 1-benzoyl-4-[2-[7-(2-oxazolyl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-1,2-dioxoethyl]-
CID 5280183
3-[1-[3-[4-(1,3-Benzoxazol-2-yl)phenoxy]propyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 122196373
3-[1-[3-[4-(1,3-Benzoxazol-2-yl)-2-methylphenoxy]propyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 122196377
3-[1-[3-[4-(1,3-Benzoxazol-2-yl)-3-fluorophenoxy]propyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 122196379
3-[1-[4-[4-(1,3-Benzoxazol-2-yl)phenoxy]butyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 122196382
5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-methoxy-3-pyridinyl)-N-methylfuro[2,3-c]pyridine-2-carboxamide
CID 134807103
US9822124, Example 28
CID 118644283
5-[1-(2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 49789579
5-[1-(2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-2-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 49791144
N-[2-(dimethylamino)ethyl]-3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97407378
N-(2-methoxyethyl)-N-methyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97446393
3-(2-ethyl-1,3-oxazol-4-yl)-N-(2-methoxyethyl)-N-methyl-1,2-benzoxazole-5-carboxamide
CID 97446405

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide?
The IUPAC name of 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide (CID 97446332) is 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide?
The canonical SMILES for 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide is O=C(NCc1cccnc1)c1ccc2onc(-c3coc(-c4ccc(F)cc4)n3)c2c1.
What is the InChIKey of 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide?
The InChIKey is KWZYTDQTRRCJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN4O3/c24-17-6-3-15(4-7-17)23-27-19(13-30-23)21-18-10-16(5-8-20(18)31-28-21)22(29)26-12-14-2-1-9-25-11-14/h1-11,13H,12H2,(H,26,29).
What are the key properties of 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide?
3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide has a molecular weight of 414.40 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide is sourced from PubChem (CID 97446332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).