5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,2-oxazole-3-carboxamide

C15H11FN2O3 — CID 3238935

IUPAC5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccco1)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C15H11FN2O3/c16-11-5-3-10(4-6-11)14-8-13(18-21-14)15(19)17-9-12-2-1-7-20-12/h1-8H,9H2,(H,17,19)
InChIKeyYPRQFUXOOOPXQQ-UHFFFAOYSA-N
MW286.26 g/mol
LogP3.00
Rot. Bonds4

About 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,2-oxazole-3-carboxamide

5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 3238935) has the molecular formula C15H11FN2O3 and a molecular weight of 286.26 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID3238935
Molecular FormulaC15H11FN2O3
Molecular Weight286.26 g/mol
Exact Mass286.08
IUPAC Name5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccco1)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C15H11FN2O3/c16-11-5-3-10(4-6-11)14-8-13(18-21-14)15(19)17-9-12-2-1-7-20-12/h1-8H,9H2,(H,17,19)
InChIKeyYPRQFUXOOOPXQQ-UHFFFAOYSA-N
XLogP3.00
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,2-oxazole-3-carboxamide (CID 3238935) is 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,2-oxazole-3-carboxamide is O=C(NCc1ccco1)c1cc(-c2ccc(F)cc2)on1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is YPRQFUXOOOPXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3/c16-11-5-3-10(4-6-11)14-8-13(18-21-14)15(19)17-9-12-2-1-7-20-12/h1-8H,9H2,(H,17,19).
What are the key properties of 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,2-oxazole-3-carboxamide?
5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 286.26 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3238935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).