N-[2-(4-fluorophenoxy)ethyl]-3-methoxy-1,2-oxazole-5-carboxamide

C13H13FN2O4 — CID 71802433

IUPACN-[2-(4-fluorophenoxy)ethyl]-3-methoxy-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)NCCOc2ccc(F)cc2)on1
InChIInChI=1S/C13H13FN2O4/c1-18-12-8-11(20-16-12)13(17)15-6-7-19-10-4-2-9(14)3-5-10/h2-5,8H,6-7H2,1H3,(H,15,17)
InChIKeySAFIFKZPSHVAIQ-UHFFFAOYSA-N
MW280.26 g/mol
LogP1.63
Rot. Bonds6

About N-[2-(4-fluorophenoxy)ethyl]-3-methoxy-1,2-oxazole-5-carboxamide

N-[2-(4-fluorophenoxy)ethyl]-3-methoxy-1,2-oxazole-5-carboxamide (PubChem CID 71802433) has the molecular formula C13H13FN2O4 and a molecular weight of 280.26 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-3-methoxy-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-3-methoxy-1,2-oxazole-5-carboxamide
PubChem CID71802433
Molecular FormulaC13H13FN2O4
Molecular Weight280.26 g/mol
Exact Mass280.09
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-3-methoxy-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)NCCOc2ccc(F)cc2)on1
InChIInChI=1S/C13H13FN2O4/c1-18-12-8-11(20-16-12)13(17)15-6-7-19-10-4-2-9(14)3-5-10/h2-5,8H,6-7H2,1H3,(H,15,17)
InChIKeySAFIFKZPSHVAIQ-UHFFFAOYSA-N
XLogP1.63
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole-5-carboxamide;hydrochloride
CID 155529784
2-(2-fluorophenoxy)-N-(2-(3-methylisoxazol-5-yl)ethyl)acetamide
CID 71789708
3-methoxy-N-(2-methoxyphenethyl)isoxazole-5-carboxamide
CID 71802443
3-methoxy-N-(3-phenylpropyl)isoxazole-5-carboxamide
CID 71802446
3-methoxy-N-(2-(trifluoromethoxy)phenyl)isoxazole-5-carboxamide
CID 71802481
3-(benzyloxy)-N-(2-(cyclohex-1-en-1-yl)ethyl)isoxazole-5-carboxamide
CID 71802492
3-(benzyloxy)-N-(4-fluorobenzyl)isoxazole-5-carboxamide
CID 71802493
3-(benzyloxy)-N-(2-(trifluoromethoxy)benzyl)isoxazole-5-carboxamide
CID 71802524
1-[2-(3,4-Difluorophenoxy)ethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 72139499
3-methoxy-N-[2-(3-methylphenyl)ethyl]-1,2-oxazole-5-carboxamide
CID 75455127
N-(furan-2-ylmethyl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
CID 23608889
N-(2-(3-methylisoxazol-5-yl)ethyl)-2-phenoxypropanamide
CID 71789706

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-3-methoxy-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-3-methoxy-1,2-oxazole-5-carboxamide (CID 71802433) is N-[2-(4-fluorophenoxy)ethyl]-3-methoxy-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-3-methoxy-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-3-methoxy-1,2-oxazole-5-carboxamide is COc1cc(C(=O)NCCOc2ccc(F)cc2)on1.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-3-methoxy-1,2-oxazole-5-carboxamide?
The InChIKey is SAFIFKZPSHVAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O4/c1-18-12-8-11(20-16-12)13(17)15-6-7-19-10-4-2-9(14)3-5-10/h2-5,8H,6-7H2,1H3,(H,15,17).
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-3-methoxy-1,2-oxazole-5-carboxamide?
N-[2-(4-fluorophenoxy)ethyl]-3-methoxy-1,2-oxazole-5-carboxamide has a molecular weight of 280.26 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-3-methoxy-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 71802433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).