N-[4-(2,4-difluorophenoxy)but-2-ynyl]-1,2-oxazole-5-carboxamide

C14H10F2N2O3 — CID 90577565

IUPACN-[4-(2,4-difluorophenoxy)but-2-ynyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCC#CCOc1ccc(F)cc1F)c1ccno1
InChIInChI=1S/C14H10F2N2O3/c15-10-3-4-12(11(16)9-10)20-8-2-1-6-17-14(19)13-5-7-18-21-13/h3-5,7,9H,6,8H2,(H,17,19)
InChIKeyIWSRZWYLOISWIY-UHFFFAOYSA-N
MW292.24 g/mol
LogP1.76
Rot. Bonds4

About N-[4-(2,4-difluorophenoxy)but-2-ynyl]-1,2-oxazole-5-carboxamide

N-[4-(2,4-difluorophenoxy)but-2-ynyl]-1,2-oxazole-5-carboxamide (PubChem CID 90577565) has the molecular formula C14H10F2N2O3 and a molecular weight of 292.24 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenoxy)but-2-ynyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenoxy)but-2-ynyl]-1,2-oxazole-5-carboxamide
PubChem CID90577565
Molecular FormulaC14H10F2N2O3
Molecular Weight292.24 g/mol
Exact Mass292.07
IUPAC NameN-[4-(2,4-difluorophenoxy)but-2-ynyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCC#CCOc1ccc(F)cc1F)c1ccno1
InChIInChI=1S/C14H10F2N2O3/c15-10-3-4-12(11(16)9-10)20-8-2-1-6-17-14(19)13-5-7-18-21-13/h3-5,7,9H,6,8H2,(H,17,19)
InChIKeyIWSRZWYLOISWIY-UHFFFAOYSA-N
XLogP1.76
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenoxy)but-2-ynyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[4-(2,4-difluorophenoxy)but-2-ynyl]-1,2-oxazole-5-carboxamide (CID 90577565) is N-[4-(2,4-difluorophenoxy)but-2-ynyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-(2,4-difluorophenoxy)but-2-ynyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[4-(2,4-difluorophenoxy)but-2-ynyl]-1,2-oxazole-5-carboxamide is O=C(NCC#CCOc1ccc(F)cc1F)c1ccno1.
What is the InChIKey of N-[4-(2,4-difluorophenoxy)but-2-ynyl]-1,2-oxazole-5-carboxamide?
The InChIKey is IWSRZWYLOISWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O3/c15-10-3-4-12(11(16)9-10)20-8-2-1-6-17-14(19)13-5-7-18-21-13/h3-5,7,9H,6,8H2,(H,17,19).
What are the key properties of N-[4-(2,4-difluorophenoxy)but-2-ynyl]-1,2-oxazole-5-carboxamide?
N-[4-(2,4-difluorophenoxy)but-2-ynyl]-1,2-oxazole-5-carboxamide has a molecular weight of 292.24 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluorophenoxy)but-2-ynyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 90577565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).