5-(4-fluorophenyl)-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-N-prop-2-enyl-1,2-oxazole-3-carboxamide

C40H37FN6O9 — CID 160553986

IUPAC5-(4-fluorophenyl)-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-N-prop-2-enyl-1,2-oxazole-3-carboxamide
SMILESC=CCNC(=O)c1cc(-c2ccco2)on1.COCCNC(=O)c1cc(-c2ccc(F)cc2)on1.O=C(NCCc1ccccc1)c1cc(-c2ccco2)on1
InChIInChI=1S/C16H14N2O3.C13H13FN2O3.C11H10N2O3/c19-16(17-9-8-12-5-2-1-3-6-12)13-11-15(21-18-13)14-7-4-10-20-14;1-18-7-6-15-13(17)11-8-12(19-16-11)9-2-4-10(14)5-3-9;1-2-5-12-11(14)8-7-10(16-13-8)9-4-3-6-15-9/h1-7,10-11H,8-9H2,(H,17,19);2-5,8H,6-7H2,1H3,(H,15,17);2-4,6-7H,1,5H2,(H,12,14)
InChIKeyQYLBISKYAJGKSE-UHFFFAOYSA-N
MW764.77 g/mol
LogP6.61
Rot. Bonds14

About 5-(4-fluorophenyl)-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-N-prop-2-enyl-1,2-oxazole-3-carboxamide

5-(4-fluorophenyl)-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-N-prop-2-enyl-1,2-oxazole-3-carboxamide (PubChem CID 160553986) has the molecular formula C40H37FN6O9 and a molecular weight of 764.77 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-N-prop-2-enyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-N-prop-2-enyl-1,2-oxazole-3-carboxamide
PubChem CID160553986
Molecular FormulaC40H37FN6O9
Molecular Weight764.77 g/mol
Exact Mass764.26
IUPAC Name5-(4-fluorophenyl)-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-N-prop-2-enyl-1,2-oxazole-3-carboxamide
SMILESC=CCNC(=O)c1cc(-c2ccco2)on1.COCCNC(=O)c1cc(-c2ccc(F)cc2)on1.O=C(NCCc1ccccc1)c1cc(-c2ccco2)on1
InChIInChI=1S/C16H14N2O3.C13H13FN2O3.C11H10N2O3/c19-16(17-9-8-12-5-2-1-3-6-12)13-11-15(21-18-13)14-7-4-10-20-14;1-18-7-6-15-13(17)11-8-12(19-16-11)9-2-4-10(14)5-3-9;1-2-5-12-11(14)8-7-10(16-13-8)9-4-3-6-15-9/h1-7,10-11H,8-9H2,(H,17,19);2-5,8H,6-7H2,1H3,(H,15,17);2-4,6-7H,1,5H2,(H,12,14)
InChIKeyQYLBISKYAJGKSE-UHFFFAOYSA-N
XLogP6.61
TPSA200.90 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500764.77
LogP ≤ 56.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 5-(4-fluorophenyl)-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-N-prop-2-enyl-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

N-benzyl-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 3241359
5-(furan-2-yl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
CID 3245765
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 6619139
5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 3238493
1-Benzhydryl-4-{[5-(2-furyl)isoxazol-3-yl]carbonyl}piperazine
CID 3241968
5-(2-furyl)-N-(2-morpholin-4-ylethyl)isoxazole-3-carboxamide
CID 3239103
N-[[(3S,5S)-3-(3-aminopropyl)-1-(2,2-diphenylethyl)-2-oxo-1,4-diazepan-5-yl]methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 57853971
5-(2-furyl)-N-(2-furylmethyl)isoxazole-3-carboxamide
CID 3243794
N-(4-fluorobenzyl)-5-(2-furyl)isoxazole-3-carboxamide
CID 3244401
5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-[(5-phenylisoxazol-3-yl)methyl]isoxazole-3-carboxamide
CID 16191108
3,4-difluoro-N-((5-(furan-2-yl)isoxazol-3-yl)methyl)benzamide
CID 30608005
2-(4-Fluorophenyl)pyrrolidinyl 5-(2-furyl)isoxazol-3-yl ketone
CID 45924646

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-N-prop-2-enyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-N-prop-2-enyl-1,2-oxazole-3-carboxamide (CID 160553986) is 5-(4-fluorophenyl)-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-N-prop-2-enyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-N-prop-2-enyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-N-prop-2-enyl-1,2-oxazole-3-carboxamide is C=CCNC(=O)c1cc(-c2ccco2)on1.COCCNC(=O)c1cc(-c2ccc(F)cc2)on1.O=C(NCCc1ccccc1)c1cc(-c2ccco2)on1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-N-prop-2-enyl-1,2-oxazole-3-carboxamide?
The InChIKey is QYLBISKYAJGKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3.C13H13FN2O3.C11H10N2O3/c19-16(17-9-8-12-5-2-1-3-6-12)13-11-15(21-18-13)14-7-4-10-20-14;1-18-7-6-15-13(17)11-8-12(19-16-11)9-2-4-10(14)5-3-9;1-2-5-12-11(14)8-7-10(16-13-8)9-4-3-6-15-9/h1-7,10-11H,8-9H2,(H,17,19);2-5,8H,6-7H2,1H3,(H,15,17);2-4,6-7H,1,5H2,(H,12,14).
What are the key properties of 5-(4-fluorophenyl)-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-N-prop-2-enyl-1,2-oxazole-3-carboxamide?
5-(4-fluorophenyl)-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-N-prop-2-enyl-1,2-oxazole-3-carboxamide has a molecular weight of 764.77 g/mol, XLogP of 6.61, 14 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-N-prop-2-enyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 160553986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).