N-[(5-fluorothiophen-2-yl)methylideneamino]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

C13H8FN3O3S — CID 171130740

IUPACN-[(5-fluorothiophen-2-yl)methylideneamino]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(NN=Cc1ccc(F)s1)c1cc(-c2ccco2)on1
InChIInChI=1S/C13H8FN3O3S/c14-12-4-3-8(21-12)7-15-16-13(18)9-6-11(20-17-9)10-2-1-5-19-10/h1-7H,(H,16,18)
InChIKeyAQHMLTWQRXHDNR-UHFFFAOYSA-N
MW305.29 g/mol
LogP2.90
Rot. Bonds4

About N-[(5-fluorothiophen-2-yl)methylideneamino]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

N-[(5-fluorothiophen-2-yl)methylideneamino]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 171130740) has the molecular formula C13H8FN3O3S and a molecular weight of 305.29 g/mol. Its IUPAC name is N-[(5-fluorothiophen-2-yl)methylideneamino]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(5-fluorothiophen-2-yl)methylideneamino]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID171130740
Molecular FormulaC13H8FN3O3S
Molecular Weight305.29 g/mol
Exact Mass305.03
IUPAC NameN-[(5-fluorothiophen-2-yl)methylideneamino]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(NN=Cc1ccc(F)s1)c1cc(-c2ccco2)on1
InChIInChI=1S/C13H8FN3O3S/c14-12-4-3-8(21-12)7-15-16-13(18)9-6-11(20-17-9)10-2-1-5-19-10/h1-7H,(H,16,18)
InChIKeyAQHMLTWQRXHDNR-UHFFFAOYSA-N
XLogP2.90
TPSA80.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 137030919
N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-2-methylfuran-3-carboxamide
CID 110211053
4-fluoro-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]benzamide
CID 124854267
N-(3,3-difluoro-2-hydroxypropyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 103770495
N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-3-methoxybenzamide
CID 119055652
5-(furan-2-yl)-1,2-oxazole-3-carbonyl chloride
CID 2795555
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 47138249
N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 71884102
5-(furan-2-yl)-N-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 24739268
N-(3,4-dimethylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 3244522
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 110615313
5-(furan-2-yl)-N-(2-methylsulfonylethyl)-1,2-oxazole-3-carboxamide
CID 110357164

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluorothiophen-2-yl)methylideneamino]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(5-fluorothiophen-2-yl)methylideneamino]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (CID 171130740) is N-[(5-fluorothiophen-2-yl)methylideneamino]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(5-fluorothiophen-2-yl)methylideneamino]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(5-fluorothiophen-2-yl)methylideneamino]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is O=C(NN=Cc1ccc(F)s1)c1cc(-c2ccco2)on1.
What is the InChIKey of N-[(5-fluorothiophen-2-yl)methylideneamino]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is AQHMLTWQRXHDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O3S/c14-12-4-3-8(21-12)7-15-16-13(18)9-6-11(20-17-9)10-2-1-5-19-10/h1-7H,(H,16,18).
What are the key properties of N-[(5-fluorothiophen-2-yl)methylideneamino]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
N-[(5-fluorothiophen-2-yl)methylideneamino]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 305.29 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluorothiophen-2-yl)methylideneamino]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 171130740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).