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

C14H11FN2O3 — CID 90574319

IUPACN-[4-(2-fluorophenoxy)but-2-ynyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCC#CCOc1ccccc1F)c1ccno1
InChIInChI=1S/C14H11FN2O3/c15-11-5-1-2-6-12(11)19-10-4-3-8-16-14(18)13-7-9-17-20-13/h1-2,5-7,9H,8,10H2,(H,16,18)
InChIKeyCNAMRKGXFPGNBB-UHFFFAOYSA-N
MW274.25 g/mol
LogP1.63
Rot. Bonds4

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

N-[4-(2-fluorophenoxy)but-2-ynyl]-1,2-oxazole-5-carboxamide (PubChem CID 90574319) has the molecular formula C14H11FN2O3 and a molecular weight of 274.25 g/mol. Its IUPAC name is N-[4-(2-fluorophenoxy)but-2-ynyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2-fluorophenoxy)but-2-ynyl]-1,2-oxazole-5-carboxamide
PubChem CID90574319
Molecular FormulaC14H11FN2O3
Molecular Weight274.25 g/mol
Exact Mass274.08
IUPAC NameN-[4-(2-fluorophenoxy)but-2-ynyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCC#CCOc1ccccc1F)c1ccno1
InChIInChI=1S/C14H11FN2O3/c15-11-5-1-2-6-12(11)19-10-4-3-8-16-14(18)13-7-9-17-20-13/h1-2,5-7,9H,8,10H2,(H,16,18)
InChIKeyCNAMRKGXFPGNBB-UHFFFAOYSA-N
XLogP1.63
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 51.63
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-fluorophenoxy)but-2-ynyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[4-(2-fluorophenoxy)but-2-ynyl]-1,2-oxazole-5-carboxamide (CID 90574319) is N-[4-(2-fluorophenoxy)but-2-ynyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-(2-fluorophenoxy)but-2-ynyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[4-(2-fluorophenoxy)but-2-ynyl]-1,2-oxazole-5-carboxamide is O=C(NCC#CCOc1ccccc1F)c1ccno1.
What is the InChIKey of N-[4-(2-fluorophenoxy)but-2-ynyl]-1,2-oxazole-5-carboxamide?
The InChIKey is CNAMRKGXFPGNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3/c15-11-5-1-2-6-12(11)19-10-4-3-8-16-14(18)13-7-9-17-20-13/h1-2,5-7,9H,8,10H2,(H,16,18).
What are the key properties of N-[4-(2-fluorophenoxy)but-2-ynyl]-1,2-oxazole-5-carboxamide?
N-[4-(2-fluorophenoxy)but-2-ynyl]-1,2-oxazole-5-carboxamide has a molecular weight of 274.25 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluorophenoxy)but-2-ynyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 90574319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).