N-[2-(4-fluorophenoxy)ethyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide

C17H14FN3O5 — CID 90515090

IUPACN-[2-(4-fluorophenoxy)ethyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
SMILESO=C(NCCOc1ccc(F)cc1)c1coc(NC(=O)c2ccco2)n1
InChIInChI=1S/C17H14FN3O5/c18-11-3-5-12(6-4-11)24-9-7-19-15(22)13-10-26-17(20-13)21-16(23)14-2-1-8-25-14/h1-6,8,10H,7,9H2,(H,19,22)(H,20,21,23)
InChIKeyWYRSIHFLIYZYDJ-UHFFFAOYSA-N
MW359.31 g/mol
LogP2.47
Rot. Bonds7

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

N-[2-(4-fluorophenoxy)ethyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide (PubChem CID 90515090) has the molecular formula C17H14FN3O5 and a molecular weight of 359.31 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
PubChem CID90515090
Molecular FormulaC17H14FN3O5
Molecular Weight359.31 g/mol
Exact Mass359.09
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
SMILESO=C(NCCOc1ccc(F)cc1)c1coc(NC(=O)c2ccco2)n1
InChIInChI=1S/C17H14FN3O5/c18-11-3-5-12(6-4-11)24-9-7-19-15(22)13-10-26-17(20-13)21-16(23)14-2-1-8-25-14/h1-6,8,10H,7,9H2,(H,19,22)(H,20,21,23)
InChIKeyWYRSIHFLIYZYDJ-UHFFFAOYSA-N
XLogP2.47
TPSA106.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropanecarbonylamino)-N-[2-(4-fluorophenoxy)ethyl]-1,3-oxazole-4-carboxamide
CID 121110467
2-(furan-2-carbonylamino)-N-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 90515253
2-(furan-2-carbonylamino)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 90515219
N-[2-(4-chlorophenyl)ethyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515222
2-(furan-2-carbonylamino)-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 90515122
2-(furan-2-carbonylamino)-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3-oxazole-4-carboxamide
CID 90515091
N-(3-chloro-4-fluorophenyl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515189
N-[2-(2-chloro-4-fluorophenoxy)ethyl]furan-2-carboxamide
CID 113102920
N-[2-(4-fluorophenoxy)ethyl]-1-methyltriazole-4-carboxamide
CID 45497185
N-[4-(dimethylamino)phenyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515175
N-[(3-fluorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 26392971
N-(4-fluorophenyl)furan-2-carboxamide
CID 531893

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide (CID 90515090) is N-[2-(4-fluorophenoxy)ethyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide is O=C(NCCOc1ccc(F)cc1)c1coc(NC(=O)c2ccco2)n1.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The InChIKey is WYRSIHFLIYZYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O5/c18-11-3-5-12(6-4-11)24-9-7-19-15(22)13-10-26-17(20-13)21-16(23)14-2-1-8-25-14/h1-6,8,10H,7,9H2,(H,19,22)(H,20,21,23).
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide?
N-[2-(4-fluorophenoxy)ethyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide has a molecular weight of 359.31 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 90515090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).