2-ethyl-4-(4-fluorophenyl)-N-[4-(4-methoxy-2-pyridinyl)-1,3-oxazol-2-yl]-1,3-oxazole-5-carboxamide

C21H17FN4O4 — CID 176859205

IUPAC2-ethyl-4-(4-fluorophenyl)-N-[4-(4-methoxy-2-pyridinyl)-1,3-oxazol-2-yl]-1,3-oxazole-5-carboxamide
SMILESCCc1nc(-c2ccc(F)cc2)c(C(=O)Nc2nc(-c3cc(OC)ccn3)co2)o1
InChIInChI=1S/C21H17FN4O4/c1-3-17-25-18(12-4-6-13(22)7-5-12)19(30-17)20(27)26-21-24-16(11-29-21)15-10-14(28-2)8-9-23-15/h4-11H,3H2,1-2H3,(H,24,26,27)
InChIKeyPYPCCESMCPKCJF-UHFFFAOYSA-N
MW408.39 g/mol
LogP4.35
Rot. Bonds6

About 2-ethyl-4-(4-fluorophenyl)-N-[4-(4-methoxy-2-pyridinyl)-1,3-oxazol-2-yl]-1,3-oxazole-5-carboxamide

2-ethyl-4-(4-fluorophenyl)-N-[4-(4-methoxy-2-pyridinyl)-1,3-oxazol-2-yl]-1,3-oxazole-5-carboxamide (PubChem CID 176859205) has the molecular formula C21H17FN4O4 and a molecular weight of 408.39 g/mol. Its IUPAC name is 2-ethyl-4-(4-fluorophenyl)-N-[4-(4-methoxy-2-pyridinyl)-1,3-oxazol-2-yl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-4-(4-fluorophenyl)-N-[4-(4-methoxy-2-pyridinyl)-1,3-oxazol-2-yl]-1,3-oxazole-5-carboxamide
PubChem CID176859205
Molecular FormulaC21H17FN4O4
Molecular Weight408.39 g/mol
Exact Mass408.12
IUPAC Name2-ethyl-4-(4-fluorophenyl)-N-[4-(4-methoxy-2-pyridinyl)-1,3-oxazol-2-yl]-1,3-oxazole-5-carboxamide
SMILESCCc1nc(-c2ccc(F)cc2)c(C(=O)Nc2nc(-c3cc(OC)ccn3)co2)o1
InChIInChI=1S/C21H17FN4O4/c1-3-17-25-18(12-4-6-13(22)7-5-12)19(30-17)20(27)26-21-24-16(11-29-21)15-10-14(28-2)8-9-23-15/h4-11H,3H2,1-2H3,(H,24,26,27)
InChIKeyPYPCCESMCPKCJF-UHFFFAOYSA-N
XLogP4.35
TPSA103.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.39
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(4-fluorophenyl)-N-[4-(4-methoxy-2-pyridinyl)-1,3-oxazol-2-yl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-ethyl-4-(4-fluorophenyl)-N-[4-(4-methoxy-2-pyridinyl)-1,3-oxazol-2-yl]-1,3-oxazole-5-carboxamide (CID 176859205) is 2-ethyl-4-(4-fluorophenyl)-N-[4-(4-methoxy-2-pyridinyl)-1,3-oxazol-2-yl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-4-(4-fluorophenyl)-N-[4-(4-methoxy-2-pyridinyl)-1,3-oxazol-2-yl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-ethyl-4-(4-fluorophenyl)-N-[4-(4-methoxy-2-pyridinyl)-1,3-oxazol-2-yl]-1,3-oxazole-5-carboxamide is CCc1nc(-c2ccc(F)cc2)c(C(=O)Nc2nc(-c3cc(OC)ccn3)co2)o1.
What is the InChIKey of 2-ethyl-4-(4-fluorophenyl)-N-[4-(4-methoxy-2-pyridinyl)-1,3-oxazol-2-yl]-1,3-oxazole-5-carboxamide?
The InChIKey is PYPCCESMCPKCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O4/c1-3-17-25-18(12-4-6-13(22)7-5-12)19(30-17)20(27)26-21-24-16(11-29-21)15-10-14(28-2)8-9-23-15/h4-11H,3H2,1-2H3,(H,24,26,27).
What are the key properties of 2-ethyl-4-(4-fluorophenyl)-N-[4-(4-methoxy-2-pyridinyl)-1,3-oxazol-2-yl]-1,3-oxazole-5-carboxamide?
2-ethyl-4-(4-fluorophenyl)-N-[4-(4-methoxy-2-pyridinyl)-1,3-oxazol-2-yl]-1,3-oxazole-5-carboxamide has a molecular weight of 408.39 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(4-fluorophenyl)-N-[4-(4-methoxy-2-pyridinyl)-1,3-oxazol-2-yl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 176859205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).